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Cycloposine

CAT: 1596-AR-C03790-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAS Number
23185-94-6
Synonyms
(2R,3S,4S,5R,6R) -2- (hydroxymethyl) -6- (((2'R,3S,3'R,3a'S,6aS,6bS,6'S,7a'R,11aS,11bR) -3',6',10,11b-tetramethyl-1,2,3,3a',4,4',5',6,6a,6b,6',7,7',7a',8,11,11a,11b-octadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin]-3-yl) oxy) tetrahydro-2H-pyran-3,4,5-triol; 17,23-epoxyveratraman-3-yl hexopyranoside;3-Glucosyl-11-deoxojervine; beta-D-Glucopyranoside, (3beta,23beta) -17,23-epoxyveratraman-3-yl
Molecular Formula
C33H51NO7
Molecular Weight
573.78
API Name
Cyclopamine

Chemical Information

Cycloposine

cycloposine has been reported in Veratrum californicum with data available.

CAS Number23185-94-6
PubChem CID25078000
IUPAC Name(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
Molecular FormulaC33H51NO7
Molecular Weight573.8
XLogP1.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count41
Formal Charge0
Complexity1090
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
InChI
InChI=1S/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16-,18+,20-,21-,22-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
InChIKey
OSOOWXRUSUHLOX-PBFVMIKGSA-N
Chemical Structure
2D Structure
2D structure of Cycloposine
CAS: 23185-94-6
CID: 25078000
Formula: C33H51NO7
MW: 573.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.8
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass573.36655297
Monoisotopic Mass573.36655297
Topological Polar Surface Area121 Ų
Heavy Atom Count41
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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