2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.

SpectraBase Compound ID	E9dQGbf9Du5
InChI	InChI=1S/C32H48N2O8/c1-18-12-11-13-19(2)31(35)34-25-17-23(37-6)16-24(30(25)41-10)28(39-8)22(5)15-26(38-7)29(40-9)21(4)14-20(3)27(18)42-32(33)36/h11-14,16-18,21-22,26-29H,15H2,1-10H3,(H2,33,36)(H,34,35)/b12-11+,19-13-,20-14+
InChIKey	HFFSRAZNGTXESA-PCYYEZGMSA-N Google Search
Mol Weight	588.7 g/mol
Molecular Formula	C32H48N2O8
Exact Mass	588.341067 g/mol

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SpectraBase Spectrum ID	Ee3YVBKKqlk
Name	2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.
Alternate Name(s)	Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-15,18,21-trimethoxy-6-methyl-11-O-methyl-, (15R)- 1,4-Dimethoxy-macbecin II 13,14,17,20,22-pentamethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate
CAS Registry Number	123084-01-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H48N2O8
InChI	InChI=1S/C32H48N2O8/c1-18-12-11-13-19(2)31(35)34-25-17-23(37-6)16-24(30(25)41-10)28(39-8)22(5)15-26(38-7)29(40-9)21(4)14-20(3)27(18)42-32(33)36/h11-14,16-18,21-22,26-29H,15H2,1-10H3,(H2,33,36)(H,34,35)/b12-11+,19-13-,20-14+
InChIKey	HFFSRAZNGTXESA-PCYYEZGMSA-N
Molecular Weight	588.742 g/mol
SMILES	N1C(\C(=C/C=C/C(C(OC(=O)N)\C(=C\C(C(C(CC(C(c2c(c1cc(c2)OC)OC)OC)C)OC)OC)C)C)C)C)=O
SPLASH	splash10-0fk9-9803060000-6fa80248095330a0af9b
Source of Spectrum	KC-1990-63-62
Wiley ID	1409190