Methyl 13-[2'-(methoxycarbonyl)-1',1'-(ethylenedithio)ethyl]-podocarpa-8,11,13-trien-16-oate

SpectraBase Compound ID	3ENw2Ct2puP
InChI	InChI=1S/C24H32O4S2/c1-22-10-5-11-23(2,21(26)28-4)19(22)9-6-16-14-17(7-8-18(16)22)24(15-20(25)27-3)29-12-13-30-24/h7-8,14,19H,5-6,9-13,15H2,1-4H3/t19?,22-,23-/m1/s1
InChIKey	VEXGNABLHSIOGH-QENMJEOYSA-N Google Search
Mol Weight	448.6 g/mol
Molecular Formula	C24H32O4S2
Exact Mass	448.174202 g/mol

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SpectraBase Spectrum ID	434xjhRdIPk
Name	Methyl 13-[2'-(methoxycarbonyl)-1',1'-(ethylenedithio)ethyl]-podocarpa-8,11,13-trien-16-oate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	448.174201854 u
Formula	C24H32O4S2
InChI	InChI=1S/C24H32O4S2/c1-22-10-5-11-23(2,21(26)28-4)19(22)9-6-16-14-17(7-8-18(16)22)24(15-20(25)27-3)29-12-13-30-24/h7-8,14,19H,5-6,9-13,15H2,1-4H3/t19?,22-,23-/m1/s1
InChIKey	VEXGNABLHSIOGH-QENMJEOYSA-N
Molecular Weight	448.636 g/mol
SMILES	[C@@]12(C([C@@](C(=O)OC)(C)CCC2)CCC2=C1C=CC(C1(CC(=O)OC)SCCS1)=C2)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.88461