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Chemical structure of 23-Nor-6-oxopristimerol

GC71889

23-Nor-6-oxopristimerol

Also known as methyl (2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate

23-Nor-6-oxopristimerol is a phenolic dinor-triterpene

ChemicalCAS118172-79-5MW466.61FormulaC29H38O5
CAS number
118172-79-5
Molecular weight
466.61
Formula
C29H38O5
InChIKey
GCBFITRLUGEXIX-UHKCKZGUSA-N
Catalogue number
GC71889
Brand
GLPBIO
Computed properties PubChem CID 131676057 · XLogP 6.5 · TPSA 83.8 Ų · H-bond donors 2
XLogP
6.5
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C=C5C(=O)C=C4[C@]3(CC2)C)O)O)C)C)(C)C(=O)OC

Computed descriptors from PubChem (CID 131676057), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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