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Chemical structure of 17(13→14)-Abeo-ent-3S*,13S*,16-trihydroxystrob-8(15)-ene

GC68492

17(13→14)-Abeo-ent-3S*,13S*,16-trihydroxystrob-8(15)-ene

Also known as (3S,4aR,8R,9S,11aS,11bR)-8-(hydroxymethyl)-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,9,10,11,11a-decahydrocyclohepta[a]naphthalene-3,9-diol

17(13→14)-Abeo-ent-3S*, 13S*, 16-trihydroxystrob-8(15)-ene is a natural sesquiterpene lactone with anti-inflammatory activity

ChemicalCAS2569209-22-7MW322.48FormulaC20H34O3
CAS number
2569209-22-7
Molecular weight
322.48
Formula
C20H34O3
InChIKey
KWHKWJNBEIEDAZ-LXJANLPBSA-N
Catalogue number
GC68492
Brand
GLPBIO
Computed properties PubChem CID 164886424 · XLogP 3.6 · TPSA 60.7 Ų · H-bond donors 3
XLogP
3.6
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23

SMILES C[C@]12CC[C@@H](C([C@@H]1CCC3=C[C@]([C@H](CC[C@H]23)O)(C)CO)(C)C)O

Computed descriptors from PubChem (CID 164886424), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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