5.BETA.,8.BETA.-ETHENO-15H-CYCLOPENTA(A)PHENANTHRENE-6,7-DICARBOXYLIC ANHYDRIDE, 17.BETA.-ACETYL-1,2,3,4,6.ALPHA.,7.ALPHA.,10,12,13,14.ALPHA.,16,17-DODECAHYDRO-3.BETA.-HYDROXY-10.BETA.,13.BETA.-DIMETHYL-, ACETATE

Details

Stereochemistry	MIXED
Molecular Formula	C27H32O6
Molecular Weight	452.5394
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5.BETA.,8.BETA.-ETHENO-15H-CYCLOPENTA(A)PHENANTHRENE-6,7-DICARBOXYLIC ANHYDRIDE, 17.BETA.-ACETYL-1,2,3,4,6.ALPHA.,7.ALPHA.,10,12,13,14.ALPHA.,16,17-DODECAHYDRO-3.BETA.-HYDROXY-10.BETA.,13.BETA.-DIMETHYL-, ACETATE

Structure Search

SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](CCC4[C@@]35C=C[C@]2(C1)C6C5C(=O)OC6=O)C(C)=O

InChI

InChIKey=PSLJWFDKICJBAP-QFQLEGPVSA-N

InChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3/t16-,17+,18?,20?,21?,24+,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32O6
Molecular Weight	452.5394
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	6 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:18:20 GMT 2023` Edited by `admin` on `Sat Dec 16 05:18:20 GMT 2023`
Record UNII	SPX49PZ8J6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5.BETA.,8.BETA.-ETHENO-15H-CYCLOPENTA(A)PHENANTHRENE-6,7-DICARBOXYLIC ANHYDRIDE, 17.BETA.-ACETYL-1,2,3,4,6.ALPHA.,7.ALPHA.,10,12,13,14.ALPHA.,16,17-DODECAHYDRO-3.BETA.-HYDROXY-10.BETA.,13.BETA.-DIMETHYL-, ACETATE

Common Name

English

NSC-3348

Code

English

Code System Code Type Description

CAS

25495-42-5