DTXSID30985058

(3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carbaldehyde

CAS: 66409-98-1

Molecular Formula	`C28H39NO4`
Molecular Weight	453.6 g/mol
LogP	2.9
Topological Polar Surface Area	66.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	453.2879
Heavy Atoms	33
Complexity	954.0

Chemical Identifiers

CAS Number	66409-98-1
SMILES	`CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C=O`
InChIKey	`WAULJAUXPVUQMT-HXQQKEKESA-N`

📖 Product Overview

DTXSID30985058 (CAS: 66409-98-1) is a chemical compound with molecular formula C28H39NO4 and molecular weight 453.6 g/mol. Its IUPAC systematic name is (3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carbaldehyde. LogP 2.9 Topological Polar Surface Area 66.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 453.2879 Heavy Atoms 33 Complexity 954.0 InChI Key: WAULJAUXPVUQMT-HXQQKEKESA-N. SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C=O.

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