Jervine
AlkaPlorer ID: AK016395
Synonym: '', 'MLS001212077', 'Jervine', 'MLSMR', 'SMR000518437'
IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aS,9S,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
Structure
SMILES: CC1=C2C(=O)[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/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-NTWFYATBSA-N
Source
Properties Information
Molecule Weight: 425.6130000000002
TPSA？: 58.56
MolLogP？: 4.180900000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
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