Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:38:23 UTC
Update Date2022-08-31 06:25:20 UTC
Metabolite IDMMDBc0006423
Metabolite Identification
Common Name6-epiophiobolin I
Description6-epiophiobolin I belongs to the class of organic compounds known as ophiobolane sesterterpenoids. These are sesterterpnoids with a structure based on the ophiobolane backbone. Ophiobolane is a tricyclic compound consisting of two cyclopentane rings joined by a cyclooctane ring, and carries a methyl group at the 1-, 4-, and 8-position, as well as a 6-methylheptane group at the 12-position. Based on a literature review very few articles have been published on 6-epiophiobolin I.
Structure
SynonymsNot Available
Molecular FormulaC25H36O3
Average Mass384.56
Monoisotopic Mass384.266445019
IUPAC Name(1'S,2S,3S,3'R,5R,7'R,9'E,11'S)-10'-(hydroxymethyl)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)spiro[oxolane-2,6'-tricyclo[9.3.0.0^{3,7}]tetradecane]-9',13'-dien-12'-one
Traditional Name(1'S,2S,3S,3'R,5R,7'R,9'E,11'S)-10'-(hydroxymethyl)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)spiro[oxolane-2,6'-tricyclo[9.3.0.0^{3,7}]tetradecane]-9',13'-dien-12'-one
CAS Registry NumberNot Available
SMILES
[H]\C1=C(CO)\[C@@]2([H])C(=O)C=C(C)[C@@]2([H])C[C@@]2(C)CC[C@@]3(O[C@]([H])(C[C@]3([H])C)C=C(C)C)[C@]2([H])C1
InChI Identifier
InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22+,23+,24+,25-/m0/s1
InChI KeyPWHAYWTWJLFKJT-CWPAWFJGSA-N