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Chemical structure of Stigmastane-3,6-dione

GC62710

Stigmastane-3,6-dione

Also listed as (5α)-Stigmastane-3,6-dione

(5α)-Stigmastane-3,6-dione is a naturally occurring sterol that could be isolated from fruits of Ailanthus altissima Swingle

ChemicalCAS22149-69-5MW428.69FormulaC29H48O2
CAS number
22149-69-5
Molecular weight
428.69
Formula
C29H48O2
InChIKey
HMMVBUVVQLUGQA-UMQMBAGDSA-N
Catalogue number
GC62710
Brand
GLPBIO
Computed properties PubChem CID 13992092 · XLogP 8.1 · TPSA 34.1 Ų · H-bond donors 0
XLogP
8.1
TPSA
34.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
31

SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C

Computed descriptors from PubChem (CID 13992092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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