5H-[1,3]Dioxolo[4,5-h]-1,3-dioxolo[4,5]cyclopenta[1,2-a]pyrrolo[2,1-b][3]benzazepine, cephalotaxine deriv.

SpectraBase Compound ID	GfMwCbTZWE4
InChI	InChI=1S/C32H31NO5S2/c1-30(2)37-26-18-31-13-14-32(39-21-9-5-3-6-10-21,40-22-11-7-4-8-12-22)33(31)27(34)16-20-15-24-25(36-19-35-24)17-23(20)28(31)29(26)38-30/h3-12,15,17,26,28-29H,13-14,16,18-19H2,1-2H3/t26-,28+,29-,31-/m0/s1
InChIKey	LQJCCFLEMIGDDM-WZQFQANOSA-N Google Search
Mol Weight	573.7 g/mol
Molecular Formula	C32H31NO5S2
Exact Mass	573.164365 g/mol

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SpectraBase Spectrum ID	CfqtFTYR0th
Name	5H-[1,3]Dioxolo[4,5-h]-1,3-dioxolo[4,5]cyclopenta[1,2-a]pyrrolo[2,1-b][3]benzazepine, cephalotaxine deriv.
Alternate Name(s)	Cephalotaxine, 2-demethoxy-3-deoxy-1,2-dihydro-2,3-[(1-methylethylidene)bis(oxy)]-10-oxo-11,11-bis(phenylthio)-, (2.beta.,3.beta.)-(.+-.)- (3a.alpha.,4aS(*),15b.beta.,15c.alpha.)-(+-)-10-bis(phenylthio)-3a,6,7,15b,15c-penta-hydro-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,4aS,15bS,15cR)-2,2-dimethyl-7,7-bis(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
CAS Registry Number	130552-97-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H31NO5S2
InChI	InChI=1S/C32H31NO5S2/c1-30(2)37-26-18-31-13-14-32(39-21-9-5-3-6-10-21,40-22-11-7-4-8-12-22)33(31)27(34)16-20-15-24-25(36-19-35-24)17-23(20)28(31)29(26)38-30/h3-12,15,17,26,28-29H,13-14,16,18-19H2,1-2H3/t26-,28+,29-,31-/m0/s1
InChIKey	LQJCCFLEMIGDDM-WZQFQANOSA-N
Molecular Weight	573.722 g/mol
SMILES	[C@@]123N(C(Cc4cc5OCOc5cc4[C@@]3([C@]3(OC(O[C@]3(C1)[H])(C)C)[H])[H])=O)C(CC2)(Sc1ccccc1)Sc1ccccc1
SPLASH	splash10-0aor-0000900000-5499e0517bf000e42d28
Source of Spectrum	C-112-9610-34
Wiley ID	1407951