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Chemical structure of Neotriptophenolide

GC64611

Neotriptophenolide

Also known as (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

Neotriptophenolide is a sesquiterpene pyridine alkaloid isolated from the root barks of Tripterygium hypoglaucum

ChemicalCAS81827-74-9MW342.43FormulaC21H26O4
CAS number
81827-74-9
Molecular weight
342.43
Formula
C21H26O4
Solubility
DMSO ： 100 mg/mL (292·03 mM; Need ultrasonic)
InChIKey
YQHBJMHUMJXFDN-KKSFZXQISA-N
Catalogue number
GC64611
Brand
GLPBIO
Computed properties PubChem CID 133766 · XLogP 4 · TPSA 55.8 Ų · H-bond donors 1
XLogP
4
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O

Computed descriptors from PubChem (CID 133766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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