CASSAINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H39NO4
Molecular Weight	405.5708
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)(C)[C@@H](O)CC[C@]23C)=C/C(=O)OCCN(C)C

InChI

InChIKey=GMHWATCMBXIANN-IOJUAHGHSA-N

InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H39NO4
Molecular Weight	405.5708
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:16 GMT 2023` Edited by `admin` on `Sat Dec 16 08:25:16 GMT 2023`
Record UNII	PQK203C49T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASSAINE

Common Name

English

NSC-72302

Code

English

(2E)-((1R,4AS,4BR,7S,8AR,10AS)-DODECAHYDRO-7-HYDROXY-1,4B,8,8-TETRAMETHYL-10-OXO-2(1H)-PHENANTHRENYLIDENE)ACETIC ACID 2-(DIMETHYLAMINO)ETHYL ESTER

Systematic Name

English

(-)-CASSAINE

Common Name

English

CASSAINE [MI]

Common Name

English

ACETIC ACID, ((1R,4AS,4BR,7S,8AR,10AS)-DODECAHYDRO-7-HYDROXY-1,4B,8,8-TETRAMETHYL-10-OXO-2(1H)-PHENANTHRENYLIDENE)-, 2-(DIMETHYLAMINO)ETHYL ESTER, (2E)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00878665