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Chemical structure of Valtrate hydrine B4

GC76407

Valtrate hydrine B4

Also known as [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-7-hydroxy-1,6-bis(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate

Valtrate hydrine B4 is a natural compound with antifungal activities

ChemicalCAS18296-48-5MW524.6FormulaC27H40O10
CAS number
18296-48-5
Molecular weight
524.6
Formula
C27H40O10
Solubility
DMSO： 1 mg/mL (1·91 mM; Need ultrasonic and warming)
InChIKey
NDHTVWHEZTVRJI-HVLDEAOBSA-N
Catalogue number
GC76407
Brand
GLPBIO
Computed properties PubChem CID 101380092 · XLogP 2.6 · TPSA 135 Ų · H-bond donors 1
XLogP
2.6
TPSA
135 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
37

SMILES CC(C)CC(=O)OC[C@]1([C@H](C=C2[C@@H]1[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O

Computed descriptors from PubChem (CID 101380092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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