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| CAS No.: | 19057-60-4 |
|---|---|
| Name: | Dioscin |
| Molecular Structure: | |
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| Formula: | C45H72O16 |
| Molecular Weight: | 869.057 |
| Synonyms: | Dioscin(6CI,7CI,8CI);(+)-Dioscin;Collettiside III;Dioscine;4)-b-D-glucopyranoside; |
| Density: | 1.39 g/cm3 |
| Melting Point: | 294-296 °C |
| Safety: | 24/25 |
| PSA: | 235.68000 |
| LogP: | 1.24170 |
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Chemistry
Following is the structure of b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (CAS NO.19057-60-4):
Empirical Formula: C45H72O16
Molecular Weight: 869.0436
Index of Refraction: 1.613
Molar Refractivity: 217.45 cm3
Molar Volume: 623.9 cm3
Density: 1.39 g/cm3
Surface Tension: 68.1 dyne/cm
Product Categories of b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- (CAS NO.19057-60-4): Miscellaneous Natural Products; Natural Plant Extract; The group of Dioscin
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
InChI: InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey: VNONINPVFQTJOC-VMYAYSHCSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | > 300mg/kg (300mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #91-271224, |
Specification
b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- , its cas register number 19057-60-4. It also can be called Dioscin(6CI,7CI,8CI) ; Spirostan, b-D-glucopyranoside deriv. ; Dioscin ; Diosgeninbis-a-L-rhamnopyranosyl-(1® ; and Polyphyllin III . Its classification code is Drug / Therapeutic Agent.