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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O6
Molecular Weight 502.6826
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEDICAGENIC ACID

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=IDGXIXSKISLYAC-WNTKNEGGSA-N
InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
MEDICAGENIC ACID
Common Name English
OLEAN-12-ENE-23,28-DIOIC ACID, 2,3-DIHYDROXY-, (2.BETA.,3.BETA.,4.ALPHA.)-
Systematic Name English
CASTANOGENIN
Common Name English
NSC-382024
Code English
Code System Code Type Description
FDA UNII
7X05537I17
Created by admin on Fri Dec 15 19:10:41 GMT 2023 , Edited by admin on Fri Dec 15 19:10:41 GMT 2023
PRIMARY
NSC
382024
Created by admin on Fri Dec 15 19:10:41 GMT 2023 , Edited by admin on Fri Dec 15 19:10:41 GMT 2023
PRIMARY
CAS
599-07-5
Created by admin on Fri Dec 15 19:10:41 GMT 2023 , Edited by admin on Fri Dec 15 19:10:41 GMT 2023
PRIMARY
PUBCHEM
65048
Created by admin on Fri Dec 15 19:10:41 GMT 2023 , Edited by admin on Fri Dec 15 19:10:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID301032043
Created by admin on Fri Dec 15 19:10:41 GMT 2023 , Edited by admin on Fri Dec 15 19:10:41 GMT 2023
PRIMARY