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Chemical structure of Maoecrystal A

GC38980

Maoecrystal A

Also known as [(1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecan-7-yl] acetate

Maoecrystal A is a compound isolated from leaves of Isodon eriocalyx

ChemicalCAS96850-30-5MW388.45FormulaC22H28O6
CAS number
96850-30-5
Molecular weight
388.45
Formula
C22H28O6
Solubility
DMSO : 33·33 mg/mL (85·80 mM; Need ultrasonic)
InChIKey
DCULYKVTBAXAER-XETVFITMSA-N
Catalogue number
GC38980
Brand
GLPBIO
Computed properties PubChem CID 20056131 · XLogP 0.9 · TPSA 89.9 Ų · H-bond donors 1
XLogP
0.9
TPSA
89.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

SMILES CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1(C2)C(=O)[C@H]([C@H]4[C@]35CO[C@@H](C4(C)C)CC5=O)O

Computed descriptors from PubChem (CID 20056131), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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