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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O4
Molecular Weight 472.6997
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEDERAGENIN

SMILES

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

InChI

InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N
InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H48O4
Molecular Weight 472.6997
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:14 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:14 UTC 2023
Record UNII
RQF57J8212
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEDERAGENIN
MI  
Common Name English
ASTRANTIAGENIN E
Common Name English
OLEAN-12-EN-28-OIC ACID, 3,23-DIHYDROXY-, (3.BETA.,4.ALPHA.)-
Common Name English
OLEAN-12-EN-28-OIC ACID, 3.BETA.,23-DIHYDROXY-
Common Name English
CAULOSAPOGENIN
Common Name English
HEDERAGENIC ACID
Common Name English
HEDERAGENIN [MI]
Common Name English
HEDERAGENIN, (+)-
Common Name English
HEDERAGENOL
Common Name English
HEDERAGENINE
Common Name English
NSC-24954
Code English
Code System Code Type Description
FDA UNII
RQF57J8212
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
WIKIPEDIA
HEDERAGENIN
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-369-9
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID301029412
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
RXCUI
2045115
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
CHEBI
69579
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
CHEBI
140466
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
NSC
24954
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
CAS
465-99-6
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
PUBCHEM
73299
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY
MERCK INDEX
m5929
Created by admin on Fri Dec 15 19:43:14 UTC 2023 , Edited by admin on Fri Dec 15 19:43:14 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT
Structure given in reference is incorrect as per name given in Scifinder