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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26O
Molecular Weight 222.3663
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NEROLIDOL, (6Z)-(-)-

SMILES

CC(C)=CCC\C(C)=C/CC[C@@](C)(O)C=C

InChI

InChIKey=FQTLCLSUCSAZDY-SZGZABIGSA-N
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H26O
Molecular Weight 222.3663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001 Mar
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:20:28 GMT 2023
Edited
by admin
on Fri Dec 15 20:20:28 GMT 2023
Record UNII
08A71M71CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEROLIDOL, (6Z)-(-)-
Common Name English
1,6,10-DODECATRIEN-3-OL, 3,7,11-TRIMETHYL-, (3R,6Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12227246
Created by admin on Fri Dec 15 20:20:28 GMT 2023 , Edited by admin on Fri Dec 15 20:20:28 GMT 2023
PRIMARY
FDA UNII
08A71M71CW
Created by admin on Fri Dec 15 20:20:28 GMT 2023 , Edited by admin on Fri Dec 15 20:20:28 GMT 2023
PRIMARY
CAS
132958-73-7
Created by admin on Fri Dec 15 20:20:28 GMT 2023 , Edited by admin on Fri Dec 15 20:20:28 GMT 2023
PRIMARY