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Chemical structure of 4-deoxy-4α-Phorbol

GC40987

4-deoxy-4α-Phorbol

Also known as (1R,2R,6R,10S,11R,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one

4-deoxy-4α-Phorbol is a tetracyclic diterpene found in croton oil

ChemicalCAS37415-57-9MW348.4FormulaC20H28O5
CAS number
37415-57-9
Molecular weight
348.4
Formula
C20H28O5
Solubility
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: slightly soluble,PBS (pH 7·2): 1 mg/ml
InChIKey
RTJAYUGZUOLFMY-KNUMMPJWSA-N
Catalogue number
GC40987
Brand
GLPBIO
Computed properties PubChem CID 56843196 · XLogP -0.1 · TPSA 98 Ų · H-bond donors 4
XLogP
-0.1
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25

SMILES C[C@@H]1[C@H](C2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@@H]4CC(=C3)CO)C)O)O)O

Computed descriptors from PubChem (CID 56843196), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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