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Jervine

CAT: 1299-RM-J180900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-J180900-01Size:10 mg
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CAS Number
469-59-0
Synonyms
(3β, 23β) -17,23-Epoxy-3-hydroxyveratraman-11-one; 11-Ketocyclopamine
Molecular Formula
C27H39NO3
Molecular Weight
425.6
Target Alternative Name
Jervine
Product Name Synonym
(3β,23β) -17,23-Epoxy-3-hydroxyveratraman-11-one; 11-Ketocyclopamine

Chemical Information

Jervine

Jervine is a member of piperidines.

CAS Number469-59-0
PubChem CID10098
IUPAC Name(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Molecular FormulaC27H39NO3
Molecular Weight425.6
XLogP2.9
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity876
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]5C(=O)C4=C3C)C)O)C)NC1
InChI
InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKey
CLEXYFLHGFJONT-DNMILWOZSA-N
Chemical Structure
2D Structure
2D structure of Jervine
CAS: 469-59-0
CID: 10098
Formula: C27H39NO3
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass425.29299411
Monoisotopic Mass425.29299411
Topological Polar Surface Area58.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8656-10Jervine

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