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Chemical structure of Chlorahololide C

GC76421

Chlorahololide C

Also known as methyl (2Z)-2-[(2S,7R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R)-7-acetyloxy-16,21-dihydroxy-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-1(24),5-dien-23-ylidene]propanoate

Chlorahololide C, a lindenane sesquiterpenoid dimer, is isolated from Chloranthus holostegius

ChemicalCAS1007859-25-7MW576.63FormulaC33H36O9
CAS number
1007859-25-7
Molecular weight
576.63
Formula
C33H36O9
InChIKey
FUWHPWXSVUDXDS-XMJAEXKHSA-N
Catalogue number
GC76421
Brand
GLPBIO
Computed properties PubChem CID 127045345 · XLogP 0.7 · TPSA 136 Ų · H-bond donors 2
XLogP
0.7
TPSA
136 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
42

SMILES CC1=C2[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3([C@H]5[C@@]2(C\6=C7[C@]([C@@H]8C[C@@H]8[C@]7(C5)O)([C@H](C(=O)/C6=C(/C)\C(=O)OC)O)C)OC1=O)C)OC(=O)C

Computed descriptors from PubChem (CID 127045345), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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