PHYTOCASSANE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H]2CC[C@@H]3C(C)(C)C(=O)[C@H](O)C[C@@]3(C)[C@@H]2C(=O)C=C1C=C

InChI

InChIKey=XVEOIKIXOSKAFL-BJASISCMSA-N

InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(-)-PHYTOCASSANE A

Preferred Name

English

PHYTOCASSANE A

Common Name

English

(3R,4AR,4BR,8S,8AR,10AS)-7-ETHENYL-1,3,4,4A,4B,8,8A,9,10,10A-DECAHYDRO-3-HYDROXY-1,1,4A,8-TETRAMETHYL-2,5-PHENANTHRENEDIONE

Systematic Name

English

2,5-PHENANTHRENEDIONE, 7-ETHENYL-1,3,4,4A,4B,8,8A,9,10,10A-DECAHYDRO-3-HYDROXY-1,1,4A,8-TETRAMETHYL-, (3R,4AR,4BR,8S,8AR,10AS)-

Systematic Name

English

Code System Code Type Description

CAS

166547-21-3