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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O10
Molecular Weight 532.5794
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE SUCCINATE

SMILES

[H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CC[C@@H](OC(=O)CCC(O)=O)[C@@]2(C)COC(=O)CCC(O)=O

InChI

InChIKey=YTHKMAIVPFVDNU-GPTWTFMPSA-N
InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/b6-5+/t19-,20+,21-,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE SUCCINATE
Common Name English
14-DEOXY-11,12-DIDEHYDROANDROGRAPHOLIDE BIS(HEMISUCCINATE)
Common Name English
DEHYDROANDROGRAPHOLIDE SUCCINATE
Common Name English
BUTANEDIOIC ACID, 1-(((1R,2R,4AR,5R,8AS)-2-(3-CARBOXY-1-OXOPROPOXY)-5-((1E)-2-(2,5-DIHYDRO-2-OXO-3-FURANYL)ETHENYL)DECAHYDRO-1,4A-DIMETHYL-6-METHYLENE-1-NAPHTHALENYL)METHYL) ESTER
Systematic Name English
Code System Code Type Description
CAS
786593-06-4
Created by admin on Sat Dec 16 11:22:51 UTC 2023 , Edited by admin on Sat Dec 16 11:22:51 UTC 2023
PRIMARY
FDA UNII
0X50BP49M1
Created by admin on Sat Dec 16 11:22:51 UTC 2023 , Edited by admin on Sat Dec 16 11:22:51 UTC 2023
PRIMARY
PUBCHEM
6540717
Created by admin on Sat Dec 16 11:22:51 UTC 2023 , Edited by admin on Sat Dec 16 11:22:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID901026359
Created by admin on Sat Dec 16 11:22:51 UTC 2023 , Edited by admin on Sat Dec 16 11:22:51 UTC 2023
PRIMARY