ROSEIN-III

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O4
Molecular Weight	332.4339
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]4C[C@@](C)(C[C@H](O)[C@@]34C)C=C

InChI

InChIKey=WSTYWWAOPBFQRI-SMHFMRFSSA-N

InChI=1S/C20H28O4/c1-5-17(2)10-12-13(21)9-14-18(3)7-6-8-20(14,24-16(18)23)19(12,4)15(22)11-17/h5,12,14-15,22H,1,6-11H2,2-4H3/t12-,14-,15-,17-,18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O4
Molecular Weight	332.4339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:37:57 GMT 2025` Edited by `admin` on `Wed Apr 02 13:37:57 GMT 2025`
Record UNII	FJF9GYL3F3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROSEIN-III

Common Name

English

ROSEIN III

Preferred Name

English

9H-4A,1-(EPOXYMETHANO)PHENANTHRENE-9,12-DIONE, 7-ETHENYLDODECAHYDRO-5-HYDROXY-1,4B,7-TRIMETHYL-, (1S,4AR,4BS,5S,7S,8AR,10AS)-

Systematic Name

English

10.BETA.-ROS-15-EN-19-OIC ACID, 10,11.BETA.-DIHYDROXY-7-OXO-, .GAMMA.-LACTONE

Systematic Name

English

9H-4A,1-(EPOXYMETHANO)PHENANTHRENE-9,12-DIONE, 7-ETHENYLDODECAHYDRO-5-HYDROXY-1,4B,7-TRIMETHYL-, (1S-(1.ALPHA.,4A.ALPHA.,4B.ALPHA.,5.ALPHA.,7.ALPHA.,8A.BETA.,10A.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

28816-87-7

Created by admin on Wed Apr 02 13:37:57 GMT 2025 , Edited by admin on Wed Apr 02 13:37:57 GMT 2025

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FDA UNII

FJF9GYL3F3

Created by admin on Wed Apr 02 13:37:57 GMT 2025 , Edited by admin on Wed Apr 02 13:37:57 GMT 2025

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PUBCHEM

101306768

Created by admin on Wed Apr 02 13:37:57 GMT 2025 , Edited by admin on Wed Apr 02 13:37:57 GMT 2025

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