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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O3
Molecular Weight 250.3334
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEOXYSAMBUCINOL

SMILES

CC1=C[C@]23O[C@@H]4CC[C@](C)([C@@]2(C)CC1)[C@]4(CO)O3

InChI

InChIKey=SFDJEINPFSNJBN-KJWHEZOQSA-N
InChI=1S/C15H22O3/c1-10-4-6-13(3)12(2)7-5-11-14(12,9-16)18-15(13,8-10)17-11/h8,11,16H,4-7,9H2,1-3H3/t11-,12-,13-,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O3
Molecular Weight 250.3334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:01 GMT 2023
Record UNII
OJ5GYH65I0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DEOXYSAMBUCINOL
Common Name English
TRICHOTHEC-9-EN-13-OL, 11,12-EPOXY-, (11.BETA.,12R)-
Systematic Name English
Code System Code Type Description
FDA UNII
OJ5GYH65I0
Created by admin on Sat Dec 16 08:43:01 GMT 2023 , Edited by admin on Sat Dec 16 08:43:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID10908826
Created by admin on Sat Dec 16 08:43:01 GMT 2023 , Edited by admin on Sat Dec 16 08:43:01 GMT 2023
PRIMARY
PUBCHEM
100969597
Created by admin on Sat Dec 16 08:43:01 GMT 2023 , Edited by admin on Sat Dec 16 08:43:01 GMT 2023
PRIMARY
CAS
104148-46-1
Created by admin on Sat Dec 16 08:43:01 GMT 2023 , Edited by admin on Sat Dec 16 08:43:01 GMT 2023
PRIMARY