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Chemical structure of Shizukaol A

GC76430

Shizukaol A

Also known as methyl (2Z)-2-[(1R,2S,8S,10S,12R,13S,14S,17S,19R,20S,21R)-21-hydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate

Shizukaol A is an sesquiterpene dimer that can be isolated from Chloranthus japonicas

ChemicalCAS131984-98-0MW502.6FormulaC31H34O6
CAS number
131984-98-0
Molecular weight
502.6
Formula
C31H34O6
InChIKey
GQSUZVYXPAKHQW-SFVFYCNCSA-N
Catalogue number
GC76430
Brand
GLPBIO
Computed properties PubChem CID 127045559 · XLogP 2.3 · TPSA 89.9 Ų · H-bond donors 1
XLogP
2.3
TPSA
89.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
37

SMILES CC1=C2C[C@H]3C(=C)[C@H]4C[C@H]4[C@@]3([C@H]5[C@@]2([C@@H]\6C7=C(C5)[C@H]8C[C@H]8[C@@]7([C@H](C(=O)/C6=C(/C)\C(=O)OC)O)C)OC1=O)C

Computed descriptors from PubChem (CID 127045559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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