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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42O7
Molecular Weight 514.6503
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GANODERENIC ACID B

SMILES

[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])C[C@@H]3O)C(\C)=C/C(=O)C[C@@H](C)C(O)=O

InChI

InChIKey=QECQJYAIIIIKJB-FMHGLVIXSA-N
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16-,18-,19+,21+,22+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H42O7
Molecular Weight 514.6503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:09:25 GMT 2023
Edited
by admin
on Sat Dec 16 14:09:25 GMT 2023
Record UNII
CB35C5TM5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GANODERENIC ACID B
Common Name English
LANOSTA-8,20(22)-DIEN-26-OIC ACID, 3,7-DIHYDROXY-11,15,23-TRIOXO-, (3.BETA.,7.BETA.,20E)-
Systematic Name English
(3β,7β,20E)-3,7-Dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid
Systematic Name English
Code System Code Type Description
FDA UNII
CB35C5TM5W
Created by admin on Sat Dec 16 14:09:25 GMT 2023 , Edited by admin on Sat Dec 16 14:09:25 GMT 2023
PRIMARY
CAS
100665-41-6
Created by admin on Sat Dec 16 14:09:25 GMT 2023 , Edited by admin on Sat Dec 16 14:09:25 GMT 2023
PRIMARY
PUBCHEM
131751853
Created by admin on Sat Dec 16 14:09:25 GMT 2023 , Edited by admin on Sat Dec 16 14:09:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID101316118
Created by admin on Sat Dec 16 14:09:25 GMT 2023 , Edited by admin on Sat Dec 16 14:09:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT