Phytocassane D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	( - )
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@H](O)C(=O)C[C@@]3(C)[C@@H]2C(=O)C=C1C=C

InChI

InChIKey=DGUIKAVSMBLZCL-MKSLXUROSA-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/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3/t11-,13-,16-,17+,18-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:50:33 GMT 2025` Edited by `admin` on `Wed Apr 02 07:50:33 GMT 2025`
Record UNII	53N63V5GQA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Phytocassane D

Common Name

English

(-)-Phytocassane D

Preferred Name

English

(2S,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-3,5(2H,4H)-phenanthrenedione

Systematic Name

English

3,5(2H,4H)-Phenanthrenedione, 7-ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-, (2S,4aR,4bR,8S,8aR,10aS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

53N63V5GQA

Created by admin on Wed Apr 02 07:50:33 GMT 2025 , Edited by admin on Wed Apr 02 07:50:33 GMT 2025

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CAS

166547-24-6

Created by admin on Wed Apr 02 07:50:33 GMT 2025 , Edited by admin on Wed Apr 02 07:50:33 GMT 2025

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EPA CompTox

DTXSID901103533

Created by admin on Wed Apr 02 07:50:33 GMT 2025 , Edited by admin on Wed Apr 02 07:50:33 GMT 2025

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PUBCHEM

11278519

Created by admin on Wed Apr 02 07:50:33 GMT 2025 , Edited by admin on Wed Apr 02 07:50:33 GMT 2025

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