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Chemical structure of Yibeissine

GC60388

Yibeissine

Also known as (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one

Yibeissine is a steroidal alkaloid isolated from the bulb of Fritillaria pallioiflora Schren

ChemicalCAS143502-51-6MW443.62FormulaC27H41NO4
CAS number
143502-51-6
Molecular weight
443.62
Formula
C27H41NO4
Solubility
DMSO ： 10 mg/mL (22·54 mM; ultrasonic and warming and heat to 60°C)
InChIKey
NURPXYQPDMVKOY-RUKZUWONSA-N
Catalogue number
GC60388
Brand
GLPBIO
Computed properties PubChem CID 3083381 · XLogP 1.6 · TPSA 78.8 Ų · H-bond donors 3
XLogP
1.6
TPSA
78.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
32

SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5[C@H](C4=C3C)O)C)O)C)NC1

Computed descriptors from PubChem (CID 3083381), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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