U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28O4
Molecular Weight 320.4232
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,7.BETA.-DIHYDROXYKAURENOLIDE

SMILES

[H][C@@]12OC(=O)[C@]3(C)[C@@H](O)CC[C@](C)([C@]13[H])[C@]4([H])CC[C@H]5CC[C@@]4(C5)[C@H]2O

InChI

InChIKey=NVGFOLOYPJBTTA-AWXMSMSVSA-N
InChI=1S/C19H28O4/c1-17-7-6-12(20)18(2)14(17)13(23-16(18)22)15(21)19-8-5-10(9-19)3-4-11(17)19/h10-15,20-21H,3-9H2,1-2H3/t10-,11-,12-,13+,14-,15-,17-,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H28O4
Molecular Weight 320.4232
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:42:28 GMT 2023
Record UNII
V4XSE1L761
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.,7.BETA.-DIHYDROXYKAURENOLIDE
Common Name English
17-NORKAURAN-18-OIC ACID, 3.BETA.,6.ALPHA.,7.BETA.-TRIHYDROXY-, .GAMMA.-LACTONE
Systematic Name English
17-NORKAURAN-18-OIC ACID, 3,6,7-TRIHYDROXY-, .GAMMA.-LACTONE, (3.BETA.,4.ALPHA.,6.ALPHA.,7.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122706897
Created by admin on Sat Dec 16 18:42:28 GMT 2023 , Edited by admin on Sat Dec 16 18:42:28 GMT 2023
PRIMARY
FDA UNII
V4XSE1L761
Created by admin on Sat Dec 16 18:42:28 GMT 2023 , Edited by admin on Sat Dec 16 18:42:28 GMT 2023
PRIMARY
CAS
34202-87-4
Created by admin on Sat Dec 16 18:42:28 GMT 2023 , Edited by admin on Sat Dec 16 18:42:28 GMT 2023
PRIMARY