(1S,9R)-11-{3-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

SpectraBase Compound ID	C8ThT9V9Vx5
InChI	InChI=1S/C27H29N3O6S2/c1-34-20-10-16(11-21(35-2)25(20)36-3)12-22-26(33)29(27(37)38-22)8-7-23(31)28-13-17-9-18(15-28)19-5-4-6-24(32)30(19)14-17/h4-6,10-12,17-18H,7-9,13-15H2,1-3H3/b22-12-
InChIKey	OPISQFOTHQBVRZ-UUYOSTAYSA-N Google Search
Mol Weight	555.66 g/mol
Molecular Formula	C27H29N3O6S2
Exact Mass	555.149778 g/mol

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SpectraBase Spectrum ID	JSsxOF6L6kz
Name	(1S,9R)-11-{3-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C27H29N3O6S2/c1-34-20-10-16(11-21(35-2)25(20)36-3)12-22-26(33)29(27(37)38-22)8-7-23(31)28-13-17-9-18(15-28)19-5-4-6-24(32)30(19)14-17/h4-6,10-12,17-18H,7-9,13-15H2,1-3H3/b22-12-
InChIKey	OPISQFOTHQBVRZ-UUYOSTAYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13691
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 200440; Labnumber: EX00086956; VK_ID: VK-013696
Synonyms	11-{3-[4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Temperature	318 °C