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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O
Molecular Weight 194.3132
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEASPIRANE, (2S,5R)-

SMILES

C[C@H]1CC[C@]2(O1)C(C)=CCCC2(C)C

InChI

InChIKey=GYUZHTWCNKINPY-AAEUAGOBSA-N
InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H22O
Molecular Weight 194.3132
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Hydrolysis of glycosidically bound volatiles from apple leaves (Cv. Anna) by Aspergillus niger beta-glucosidase affects the behavior of codling moth (Cydia pomonella L.).
2004 Oct 6
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:42:05 GMT 2023
Edited
by admin
on Sat Dec 16 00:42:05 GMT 2023
Record UNII
9G9Q67D2IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEASPIRANE, (2S,5R)-
Common Name English
1-OXASPIRO(4.5)DEC-6-ENE, 2,6,10,10-TETRAMETHYL-, (2S,5R)-
Systematic Name English
1-OXASPIRO(4.5)DEC-6-ENE, 2,6,10,10-TETRAMETHYL-, (2S-CIS)-
Common Name English
(2S,5R)-THEASPIRANE
Common Name English
Code System Code Type Description
PUBCHEM
11435500
Created by admin on Sat Dec 16 00:42:06 GMT 2023 , Edited by admin on Sat Dec 16 00:42:06 GMT 2023
PRIMARY
FDA UNII
9G9Q67D2IY
Created by admin on Sat Dec 16 00:42:06 GMT 2023 , Edited by admin on Sat Dec 16 00:42:06 GMT 2023
PRIMARY
CAS
130404-02-3
Created by admin on Sat Dec 16 00:42:06 GMT 2023 , Edited by admin on Sat Dec 16 00:42:06 GMT 2023
PRIMARY