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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O
Molecular Weight 220.351
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPATHULENOL

SMILES

C=C1CC[C@]2([H])[C@]([H])([C@@]3([H])[C@@]1([H])CC[C@]3(C)O)C2(C)C

InChI

InChIKey=FRMCCTDTYSRUBE-BGPZULBFSA-N
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24O
Molecular Weight 220.351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:16:08 UTC 2021
Edited
by admin
on Sat Jun 26 13:16:08 UTC 2021
Record UNII
7XV9L96SJJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPATHULENOL
Common Name English
1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, (1AR-(1A.ALPHA.,4A.ALPHA.,7.BETA.,7A.BETA.,7B.ALPHA.))-
Common Name English
1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-
Systematic Name English
ESPATULENOL
Common Name English
(+)-SPATHULENOL
Common Name English
1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, (1AR,4AR,7S,7AR,7BR)-
Common Name English
Code System Code Type Description
CAS
6750-60-3
Created by admin on Sat Jun 26 13:16:08 UTC 2021 , Edited by admin on Sat Jun 26 13:16:08 UTC 2021
PRIMARY
MESH
C013258
Created by admin on Sat Jun 26 13:16:08 UTC 2021 , Edited by admin on Sat Jun 26 13:16:08 UTC 2021
PRIMARY
FDA UNII
7XV9L96SJJ
Created by admin on Sat Jun 26 13:16:08 UTC 2021 , Edited by admin on Sat Jun 26 13:16:08 UTC 2021
PRIMARY
PUBCHEM
92231
Created by admin on Sat Jun 26 13:16:08 UTC 2021 , Edited by admin on Sat Jun 26 13:16:08 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT