CASSAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H39NO5
Molecular Weight	433.5809
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC\C([C@H](C)[C@]1([H])C(=O)C[C@@]3([H])[C@](C)(CCC[C@]23C)C(=O)OC)=C/C(=O)OCCN(C)C

InChI

InChIKey=RUABDWHGFBIFOR-AOIDQDHJSA-N

InChI=1S/C25H39NO5/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6/h14,16,18,20,22H,7-13,15H2,1-6H3/b17-14+/t16-,18-,20+,22-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H39NO5
Molecular Weight	433.5809
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:59:44 GMT 2023` Edited by `admin` on `Sat Dec 16 10:59:44 GMT 2023`
Record UNII	KI89P9POHB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CASSAMINE

Common Name

English

CASSAMINE [MI]

Common Name

English

1-PHENANTHRENECARBOXYLIC ACID, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,4A,8-TRIMETHYL-9-OXO-, METHYL ESTER, (1S,4AR,4BS,7E,8R,8AS,10AR)-

Systematic Name

English

CASSAMIN

Common Name

English

(1S-(1.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,10A.BETA.))-7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,4A,8-TRIMETHYL-9-OXO-1-PHENANTHRENECARBOXYLIC ACID METHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

KI89P9POHB

Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023

PRIMARY

CAS

471-71-6

Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023

PRIMARY

MERCK INDEX

m106

Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023

PRIMARY

Merck Index

PUBCHEM

12302503

Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023

PRIMARY