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Chemical structure of Didrovaltrate

GC62933

Didrovaltrate

Also known as [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate

Didrovaltrate (Didrovaltratum), isolated from the roots of Valeriana wallichii D·C, is a cytotoxic and antitumor agent

ChemicalCAS18296-45-2MW424.48FormulaC22H32O8
CAS number
18296-45-2
Molecular weight
424.48
Formula
C22H32O8
InChIKey
PHHROXLDZHUIGO-PNBTUHDLSA-N
Catalogue number
GC62933
Brand
GLPBIO
Computed properties PubChem CID 65689 · XLogP 2.3 · TPSA 101 Ų · H-bond donors 0
XLogP
2.3
TPSA
101 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
30

SMILES CC(C)CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)CC(C)C

Computed descriptors from PubChem (CID 65689), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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