(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aS,9S,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,11a-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridine]-11-one

AlkaPlorer ID: AK318605

Synonym: None

IUPAC Name: (3S,3'S,3'aS,4aS,6'S,6aS,6bS,7'aS,9S,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[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[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@H]1[C@@H]2C

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InChI: InChI=1S/C27H41NO3/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/h14,16-21,23-24,28-29H,5-13H2,1-4H3/t14-,16-,17-,18-,19-,20-,21-,23+,24-,26-,27+/m0/s1

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InChIKey: YQGYDJYDIWCHOB-SZKIHVIJSA-N

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Reference

PubChem CID: 197469

CAS: 142631-45-6

NPASS: NPC145029

Properties Information

Molecule Weight: 427.62900000000025

TPSA: 58.56

MolLogP: 4.260800000000003

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information