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Chemical structure of Epirosmanol

GC74856

Epirosmanol

Also known as 3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

Epirosmanol is a nature diterpene lactone from S· officinalis

ChemicalCAS93380-12-2MW346.42FormulaC20H26O5
CAS number
93380-12-2
Molecular weight
346.42
Formula
C20H26O5
Solubility
DMSO： 100 mg/mL (288·67 mM; Need ultrasonic)
InChIKey
LCAZOMIGFDQMNC-UHFFFAOYSA-N
Catalogue number
GC74856
Brand
GLPBIO
Computed properties PubChem CID 9884612 · XLogP 3.4 · TPSA 87 Ų · H-bond donors 3
XLogP
3.4
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25

SMILES CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O

Computed descriptors from PubChem (CID 9884612), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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