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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O4
Molecular Weight 334.4498
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 14-DEOXYANDROGRAPHOLIDE

SMILES

[H][C@]12CCC(=C)[C@@H](CCC3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO

InChI

InChIKey=GVRNTWSGBWPJGS-YSDSKTICSA-N
InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
14-DEOXYANDROGRAPHOLIDE
Common Name English
AD-04130-4
Code English
3-(2-((1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-2(5H)-FURANONE
Systematic Name English
NP-011179
Code English
2(5H)-FURANONE, 3-(2-((1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80904638
Created by admin on Sat Dec 16 14:00:08 GMT 2023 , Edited by admin on Sat Dec 16 14:00:08 GMT 2023
PRIMARY
PUBCHEM
11624161
Created by admin on Sat Dec 16 14:00:08 GMT 2023 , Edited by admin on Sat Dec 16 14:00:08 GMT 2023
PRIMARY
CAS
4176-97-0
Created by admin on Sat Dec 16 14:00:08 GMT 2023 , Edited by admin on Sat Dec 16 14:00:08 GMT 2023
PRIMARY
FDA UNII
WLN91FAQ6Z
Created by admin on Sat Dec 16 14:00:08 GMT 2023 , Edited by admin on Sat Dec 16 14:00:08 GMT 2023
PRIMARY