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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H44O4
Molecular Weight 456.6584
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 30-NORHEDERAGENIN

SMILES

C=C1CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@@]([H])([C@@](C)(CO)[C@]5([H])CC[C@]43C)O)[C@]2([H])C1)C(=O)O

InChI

InChIKey=FKUBIEWSGBVADJ-VZBPFLCRSA-N
InChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H44O4
Molecular Weight 456.6584
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 Sat Jun 26 13:28:04 UTC 2021
Edited
by admin
on Sat Jun 26 13:28:04 UTC 2021
Record UNII
909I60JU7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
30-NORHEDERAGENIN
Common Name English
30-NOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,23-DIHYDROXY-, (3.BETA.,4.ALPHA.)-
Common Name English
4A(2H)-PICENECARBOXYLIC ACID, 1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-OCTADECAHYDRO-10-HYDROXY-9-(HYDROXYMETHYL)-6A,6B,9,12A-TETRAMETHYL-2-METHYLENE-, (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-
Systematic Name English
Code System Code Type Description
FDA UNII
909I60JU7Q
Created by admin on Sat Jun 26 13:28:04 UTC 2021 , Edited by admin on Sat Jun 26 13:28:04 UTC 2021
PRIMARY
CAS
117654-06-5
Created by admin on Sat Jun 26 13:28:04 UTC 2021 , Edited by admin on Sat Jun 26 13:28:04 UTC 2021
PRIMARY
PUBCHEM
21596158
Created by admin on Sat Jun 26 13:28:04 UTC 2021 , Edited by admin on Sat Jun 26 13:28:04 UTC 2021
PRIMARY
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