Terreusinone dibenzoate [2,6-bis[(1R)-1-benzoyloxyisobutyl]-1H,5H-pyrrolo[2,3-b]indole-4,8-dione]

SpectraBase Compound ID	BGzAE1HwhKH
InChI	InChI=1S/C32H30N2O6/c1-17(2)29(39-31(37)19-11-7-5-8-12-19)23-15-21-25(33-23)28(36)22-16-24(34-26(22)27(21)35)30(18(3)4)40-32(38)20-13-9-6-10-14-20/h5-18,29-30,33-34H,1-4H3/t29-,30-/m1/s1
InChIKey	PBHKDLUMWQENDG-LOYHVIPDSA-N Google Search
Mol Weight	538.6 g/mol
Molecular Formula	C32H30N2O6
Exact Mass	538.210387 g/mol

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SpectraBase Spectrum ID	KvShEnB5M5u
Name	Terreusinone dibenzoate [2,6-bis[(1R)-1-benzoyloxyisobutyl]-1H,5H-pyrrolo[2,3-b]indole-4,8-dione]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H30N2O6
InChI	InChI=1S/C32H30N2O6/c1-17(2)29(39-31(37)19-11-7-5-8-12-19)23-15-21-25(33-23)28(36)22-16-24(34-26(22)27(21)35)30(18(3)4)40-32(38)20-13-9-6-10-14-20/h5-18,29-30,33-34H,1-4H3/t29-,30-/m1/s1
InChIKey	PBHKDLUMWQENDG-LOYHVIPDSA-N
Molecular Weight	538.600 g/mol
SMILES	[nH]1c(cc2c1C(c1c(C2=O)[nH]c(c1)[C@](OC(=O)c1ccccc1)(C(C)C)[H])=O)[C@](OC(=O)c1ccccc1)(C(C)C)[H]
SPLASH	splash10-0006-0390000000-4b5a56dffe4bb9ca1c31
Source of Spectrum	AT-44-7709-0
Wiley ID	1621774