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Chemical structure of Anhydroophiobolin A

GC40214

Anhydroophiobolin A

Also known as (1'R,2S,3S,3'S,5R,7'S,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde

Anhydroophiobolin A is an ophiobolin fungal metabolite that has been found in C

ChemicalCAS6026-65-9MW382.5FormulaC25H34O3
CAS number
6026-65-9
Molecular weight
382.5
Formula
C25H34O3
Solubility
Soluble in DMSO
InChIKey
MDYSLOGZXCWLSL-CWPAWFJGSA-N
Catalogue number
GC40214
Brand
GLPBIO
Computed properties PubChem CID 12306827 · XLogP 4.5 · TPSA 43.4 Ų · H-bond donors 0
XLogP
4.5
TPSA
43.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28

SMILES C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@@H]4[C@H](C3)C(=CC4=O)C)/C=O)C)C=C(C)C

Computed descriptors from PubChem (CID 12306827), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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