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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O2
Molecular Weight 236.3499
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVELLERDIOL

SMILES

C[C@]12C[C@@]1(CO)C(CO)=C[C@@H]3CC(C)(C)C[C@H]23

InChI

InChIKey=PXOZBWDPKXNHFQ-DZGBDDFRSA-N
InChI=1S/C15H24O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,10,12,16-17H,5-9H2,1-3H3/t10-,12+,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O2
Molecular Weight 236.3499
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:46:16 GMT 2025
Edited
by admin
on Mon Mar 31 23:46:16 GMT 2025
Record UNII
5O5QI8761S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOVELLERDIOL, (-)-
Preferred Name English
ISOVELLERDIOL
Common Name English
CYCLOPROP(E)INDENE-1A,2(1H)-DIMETHANOL, 3A,4,5,6,6A,6B-HEXAHYDRO-5,5,6B-TRIMETHYL-, (1AS-(1A.ALPHA.,3A.BETA.,6A.BETA.,6B.ALPHA.))-
Systematic Name English
CYCLOPROP(E)INDENE-1A,2(1H)-DIMETHANOL, 3A,4,5,6,6A,6B-HEXAHYDRO-5,5,6B-TRIMETHYL-, (1AS,3AS,6AS,6BR)-
Systematic Name English
Code System Code Type Description
CAS
37841-93-3
Created by admin on Mon Mar 31 23:46:16 GMT 2025 , Edited by admin on Mon Mar 31 23:46:16 GMT 2025
PRIMARY
PUBCHEM
10399234
Created by admin on Mon Mar 31 23:46:16 GMT 2025 , Edited by admin on Mon Mar 31 23:46:16 GMT 2025
PRIMARY
FDA UNII
5O5QI8761S
Created by admin on Mon Mar 31 23:46:16 GMT 2025 , Edited by admin on Mon Mar 31 23:46:16 GMT 2025
PRIMARY