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Chemical structure of Cycloposine

GC63512

Cycloposine

Also known as (2R,3R,4S,5S,6R)-2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Cycloposine is a steroidal alkaloid that can be found in the roots and rhizomes of Veratrum californicum

ChemicalCAS23185-94-6MW573.76FormulaC33H51NO7
CAS number
23185-94-6
Molecular weight
573.76
Formula
C33H51NO7
Solubility
DMSO ： 46·67 mg/mL (81·34 mM; Need ultrasonic)
InChIKey
OSOOWXRUSUHLOX-PBFVMIKGSA-N
Catalogue number
GC63512
Brand
GLPBIO
Computed properties PubChem CID 25078000 · XLogP 1.9 · TPSA 121 Ų · H-bond donors 5
XLogP
1.9
TPSA
121 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
41

SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)NC1

Computed descriptors from PubChem (CID 25078000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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