STEMMADENINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26N2O3
Molecular Weight	354.4427
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@]1(CO)[C@H]2CC[N@](C\C2=C\C)CCC3=C1NC4=CC=CC=C34

InChI

InChIKey=MBXJCHZRHROMQA-OSZHWHEXSA-N

InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H26N2O3
Molecular Weight	354.4427
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:19:15 GMT 2023` Edited by `admin` on `Sat Dec 16 17:19:15 GMT 2023`
Record UNII	7RBX39D6AB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STEMMADENINE

Common Name

English

METHYL (3S,5E,6S,7S)-5-ETHYLIDENE-2,4,5,6,7,8-HEXAHYDRO-7-(HYDROXYMETHYL)-1H-3,6-ETHANOAZONINO(5,4-B)INDOLE-7-CARBOXYLATE

Systematic Name

English

1H-3,6-ETHANOAZONINO(5,4-B)INDOLE-7-CARBOXYLIC ACID, 5-ETHYLIDENE-2,4,5,6,7,8-HEXAHYDRO-7-(HYDROXYMETHYL)-, METHYL ESTER, (3S,5E,6S,7S)-

Systematic Name

English

STEMMADENIN

Common Name

English

2H-3,6-ETHANOAZONINO(5,4-B)INDOLE-7-CARBOXYLIC ACID, 5-ETHYLIDENE-1,4,5,6,7,8-HEXAHYDRO-7-(HYDROXYMETHYL)-, METHYL ESTER, (3S-(3R*,5E,6R*,7R*))-

Systematic Name

English

2H-3,6-ETHANOAZONINO(5,4-B)INDOLE-7-CARBOXYLIC ACID, 5-ETHYLIDENE-1,4,5,6,7,8-HEXAHYDRO-7-(HYDROXYMETHYL)-, METHYL ESTER, (3S,5E,6S,7S)-

Systematic Name

English

(+)-STEMMADENINE

Common Name

English

3,7-SECOCURAN-16-CARBOXYLIC ACID, 2,7,19,20-TETRADEHYDRO-17-HYDROXY-, METHYL ESTER, (19E)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Stemmadenine