(3a.alpa.,4aS(*),10.beta.,15b.beta.,15c.alpha.)-(+-)-10-phenylthio-3a,6,7,10,15b,15c-hexahydro-2,2-dimethyl-5H-[1,3]dioxolo[4,5-h[-1,3-dioxolo[4,5]cyclopenta[1,2-a]pyrrolo[2,1-b][3]benzazepin-9(4H)-one

SpectraBase Compound ID	KbAV8TL6C5D
InChI	InChI=1S/C26H27NO5S/c1-25(2)31-20-13-26-9-6-10-27(26)24(28)23(33-15-7-4-3-5-8-15)17-12-19-18(29-14-30-19)11-16(17)21(26)22(20)32-25/h3-5,7-8,11-12,20-23H,6,9-10,13-14H2,1-2H3/t20-,21+,22-,23-,26+/m0/s1
InChIKey	GPHHSABMAUWAKT-PICATGQPSA-N Google Search
Mol Weight	465.56 g/mol
Molecular Formula	C26H27NO5S
Exact Mass	465.160994 g/mol

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SpectraBase Spectrum ID	5djMv3naRlM
Name	(3a.alpa.,4aS(*),10.beta.,15b.beta.,15c.alpha.)-(+-)-10-phenylthio-3a,6,7,10,15b,15c-hexahydro-2,2-dimethyl-5H-[1,3]dioxolo[4,5-h[-1,3-dioxolo[4,5]cyclopenta[1,2-a]pyrrolo[2,1-b][3]benzazepin-9(4H)-one
CAS Registry Number	130609-67-5
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H27NO5S
InChI	InChI=1S/C26H27NO5S/c1-25(2)31-20-13-26-9-6-10-27(26)24(28)23(33-15-7-4-3-5-8-15)17-12-19-18(29-14-30-19)11-16(17)21(26)22(20)32-25/h3-5,7-8,11-12,20-23H,6,9-10,13-14H2,1-2H3/t20-,21+,22-,23-,26+/m0/s1
InChIKey	GPHHSABMAUWAKT-PICATGQPSA-N
Molecular Weight	465.564 g/mol
SMILES	[C@]123[C@](c4c(cc5c(c4)OCO5)[C@@](C(N2CCC3)=O)(Sc2ccccc2)[H])([C@]2(OC(O[C@]2(C1)[H])(C)C)[H])[H]
SPLASH	splash10-0002-0093000000-c82e5805aaac8f0bc189
Source of Spectrum	C-112-9610-33
Synonyms	(3a.alpha.,4aS(*),10.beta.,15b.beta.,15c.alpha.)-(+-)-10-phenylthio-3a,6,7,10,15b,15c-hexahydro-2,2-dimethyl-5H-[1,3]dioxolo[4,5-h[-1,3-dioxolo[4,5]cyclopenta[1,2-a]pyrrolo[2,1-b][3]benzazepin-9(4H)-one (3aS,4aR,10S,15bS,15cR)-2,2-dimethyl-10-(phenylsulfanyl)-3a,6,7,10,15b,15c-hexahydro-5H-[1,3]dioxolo[4',5':4,5]cyclopenta[1,2-a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-9(4H)-one
Wiley ID	1391726