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Jervine acetate

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Name

Jervine acetate

EINECS
CAS No. 14788-78-4 Density 1.18g/cm3
Solubility Melting Point
Formula C29H41 N O4 Boiling Point 595.5°Cat760mmHg
Molecular Weight 466.70 Flash Point 313.9°C
Transport Information Appearance
Safety An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also JERVINE. Risk Codes
Molecular Structure Molecular Structure of 14788-78-4 (Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-11(1H)-one,3-(acetyloxy)-2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-,(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-) Hazard Symbols
Synonyms

Jervineacetate (7CI); Veratraman-11-one, 3-(acetyloxy)-17,23-epoxy-, (3b,23b)-

 

Jervine acetate Chemical Properties

Empirical Formula of Jervine acetate (CAS NO.14788-78-4): C29H41NO4
Molecular Weight: 467.6401 g/mol
Index of Refraction: 1.573
Density: 1.18 g/cm3
Flash Point: 313.9 °C
Enthalpy of Vaporization: 88.74 kJ/mol
Boiling Point: 595.5 °C at 760 mmHg
Vapour Pressure: 3.79E-14 mmHg at 25 °C
Structure of Jervine acetate (CAS NO.14788-78-4):
                                 
IUPAC Name: [(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-Tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl] acetate
Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)NC1
Isomeric SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)OC(=O)C)C)NC1
InChI: InChI=1S/C29H41NO4/c1-15-12-23-26(30-14-15)17(3)29(34-23)11-9-21-22-7-6-19-13-20(33-18(4)31)8-10-28(19,5)25(22)27(32)24(21)16(29)2/h6,15,17,20-23,25-26,30H,7-14H2,1-5H3/t15-,17+,20-,21-,22-,23+,25+,26-,28-,29-/m0/s1
InChIKey: UQVIFHXKIPQADQ-CXKDDGKJSA-N

Jervine acetate Safety Profile

An experimental teratogen. Other experimental reproductive effects. When heated to decomposition Jervine acetate (CAS NO.14788-78-4) emits toxic fumes of NOx. See also JERVINE.

Jervine acetate Specification

 Jervine acetate , its cas register number is 14788-78-4. It also can be called 3-O-Acetyljervine ; Jervine, 3-acetate ; and Veratraman-11-one, 3-(acetyloxy)-17,23-epoxy-, (3beta,23beta)- (9CI) .

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