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Cyclopamine Tartrate

CAT: 0024-sc-460066Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-460066Size:1 mg
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CAS Number
1178510-81-0

Chemical Information

Cyclopamine Tartrate

See also: Cyclopamine (annotation moved to).

CAS Number1178510-81-0
PubChem CID126455949
IUPAC Name(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-ol;methane
Molecular FormulaC28H45NO2
Molecular Weight427.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity801
SMILES
C.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)NC1
InChI
InChI=1S/C27H41NO2.CH4/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2;/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3;1H4/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-;/m0./s1
InChIKey
LDXYVRWWSSRIFU-HBYCUIHISA-N
Chemical Structure
2D Structure
2D structure of Cyclopamine Tartrate
CAS: 1178510-81-0
CID: 126455949
Formula: C28H45NO2
MW: 427.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass427.345029678
Monoisotopic Mass427.345029678
Topological Polar Surface Area41.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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