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| CAS No.: | 472-11-7 |
|---|---|
| Name: | Ruscogenin |
| Molecular Structure: | |
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| Formula: | C27H42O4 |
| Molecular Weight: | 430.628 |
| Synonyms: | Ruscogenin(6CI,7CI);Spirost-5-ene-1b,3b-diol, (25R)- (8CI);Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirost-5-ene-1,3-diolderiv.;25D-Spirost-5-ene-1β,3β-diol; |
| EINECS: | 207-447-2 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 198-202oC |
| Boiling Point: | 563.1 °C at 760 mmHg |
| Flash Point: | 294.3 °C |
| Safety: | 24/25 |
| PSA: | 58.92000 |
| LogP: | 4.68470 |
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(25R)-26-O-β-D-glucopyranosyl-furosta-5,20(22)-diene-1β,3β,26-triol 1-O-[α-L-rhamnopyranosyl-(1->2)-O-α-L-arabinopyranoside]
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With β-glucosidase In phosphoric acid at 37℃; for 24h; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane; water at 95℃; for 1h; Inert atmosphere; | A n/a B 3.8 mg |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane; water at 95℃; for 1h; Inert atmosphere; | A n/a B n/a C 2.8 mg |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane; water at 95℃; for 1h; Inert atmosphere; | A n/a B n/a C 1.5 mg |
- 201858-23-3
3β-O-tert-butyldimethylsilyl-(25R)-ruscogenin
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With hydrogenchloride In acetone for 1h; Ambient temperature; | 96% |
| With hydrogenchloride at 20℃; for 1h; | 96% |
- 90802-64-5
3β-acetoxyspirost-5-ene-1-one
A
- 79037-17-5
(20S,22R,25R)-1α,3β-dihydroxyspirost-5-ene
B
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With lithium tri-t-butoxyaluminum hydride In tetrahydrofuran cooling 1 h, r.t., 1 h; | A 66% B 34% |
| With LTBH In tetrahydrofuran cooling 1 h, r.t., 1 h; | A 66% B 34% |
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane at 95℃; for 1h; | 11.2 mg |
| With hydrogenchloride In methanol at 80℃; for 10h; Sealed tube; | 0.6 mg |
- 14414-62-1
spirost-5-ene-1-oxo-3β-ol
A
- 79037-17-5
(20S,22R,25R)-1α,3β-dihydroxyspirost-5-ene
B
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol for 2h; Ambient temperature; | A 70% B 30% |
| With lithium tri-t-butoxyaluminum hydride In tetrahydrofuran cooling 1 h, r.t., 1 h; | A 60% B 40% |
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 3h; Heating; |
- 17676-33-4
spirosta-5(6),25(27)-diene-1β,3β-diol
- 472-11-7
(25R)-ruscogenin
| Conditions | Yield |
|---|---|
| palladium on activated charcoal In ethanol; cyclohexene for 16h; Heating; Yield given; |
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Specification
The CAS register number of Spirost-5-ene-1,3-diol,(1β,3β,25R)- is 472-11-7. It also can be called as 25D-Spirost-5-ene-1β,3β-diol and the systematic name about this chemical is (1β,3β,25R)-spirost-5-en-1,3-diol. The molecular formula about this chemical is C27H42O4 and the molecular weight is 430.62. It belongs to the following product category which includes Miscellaneous Natural Products.
Physical properties about Spirost-5-ene-1,3-diol,(1β,3β,25R)- are: (1)ACD/LogP: 4.29; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 36.92 Å2; (6)Index of Refraction: 1.576; (7)Molar Refractivity: 120.87 cm3; (8)Molar Volume: 364.7 cm3; (9)Polarizability: 47.91x10-24cm3; (10)Surface Tension: 48.7 dyne/cm; (11)Density: 1.18 g/cm3; (12)Flash Point: 294.3 °C; (13)Enthalpy of Vaporization: 97.24 kJ/mol; (14)Boiling Point: 563.1 °C at 760 mmHg; (15)Vapour Pressure: 5.03E-15 mmHg at 25 °C.
Preparation: this chemical can be prepared by (25R)-Ruscogenin. This reaction will need reagent of chromium (VI)-oxide, aqueous acetic acid.
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Uses of Spirost-5-ene-1,3-diol,(1β,3β,25R)-: it can be used to produce epiruscogenin and (25R)-Ruscogenin. This reaction will need reagent of lithium aluminum tri-t-butoxyhydride and solvent of tetrahydrofuran. The reaction needs 1 hour of cooling and 1 hour of r.t.. The yield is about 40%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O1[C@@H]4[C@H]([C@@H]([C@]12OC[C@@H](CC2)C)C)[C@@]5(C)CC[C@@H]3[C@@]6(C(=C/C[C@H]3[C@@H]5C4)\C[C@@H](O)C[C@H]6O)C
(2)InChI: InChI=1/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: QMQIQBOGXYYATH-IDABPMKMBV
(4)Std. InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
(5)Std. InChIKey: QMQIQBOGXYYATH-IDABPMKMSA-N