Cyclopamine
AlkaPlorer ID: AK013138
Synonym: '', '11-Deoxyjervine', 'Cyclopamine'
IUPAC Name: (3R,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
Structure
SMILES: CC1=C2C[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
InChI: InChI=1S/C27H41NO2/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/t15-,17+,19+,20-,21-,23-,24+,25-,26-,27-/m0/s1
InChIKey: QASFUMOKHFSJGL-RPLSWXPTSA-N
Source
Properties Information
Molecule Weight: 411.63000000000017
TPSA？: 41.49
MolLogP？: 5.0019000000000045
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
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