O-ACETYLJERVINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H41NO4
Molecular Weight	467.6401
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C(=O)[C@@]5([H])[C@@]4([H])CC=C6C[C@H](CC[C@]56C)OC(C)=O)=C3C)O2

InChI

InChIKey=UQVIFHXKIPQADQ-CXKDDGKJSA-N

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

HIDE SMILES / InChI

Molecular Formula	C29H41NO4
Molecular Weight	467.6401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:38:08 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:08 GMT 2023`
Record UNII	MKV40NV1SG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-ACETYLJERVINE

Common Name

English

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)-

Systematic Name

English

VERATRAMAN-11-ONE, 3-(ACETYLOXY)-17,23-EPOXY-, (3.BETA.,23.BETA.)-

Common Name

English

Code System Code Type Description

CAS

14788-78-4

Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023

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EPA CompTox

DTXSID40163825

Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023

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FDA UNII

MKV40NV1SG

Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023

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PUBCHEM

3032629

Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023

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