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Chemical structure of (25R)-Spirost-4-ene-3,6,12-trione

GC68510

(25R)-Spirost-4-ene-3,6,12-trione

Also known as (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-10,16,19-trione

(25R)-Spirost-4-ene-3,6,12-trione is a natural product that can be isolated from T· terrestris L

ChemicalCAS214681-62-6MW440.57FormulaC27H36O5
CAS number
214681-62-6
Molecular weight
440.57
Formula
C27H36O5
InChIKey
PJNWRUYLFKBOLU-OHRSWNPWSA-N
Catalogue number
GC68510
Brand
GLPBIO
Computed properties PubChem CID 163017443 · XLogP 3 · TPSA 69.7 Ų · H-bond donors 0
XLogP
3
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
32

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC(=O)C6=CC(=O)CC[C@]56C)C)C)OC1

Computed descriptors from PubChem (CID 163017443), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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