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6,15-Dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylic acid, 3,12-dihydroxy-9,18-dioxo-, bis(phenylmethyl) ester, (2E,7R*,11E,16S*)-(.+-.)-
SpectraBase Compound ID BeVA4L6M1az
InChI InChI=1S/C30H30N2O10/c33-21-11-13-40-26-16-24(36)32(26)28(30(38)42-18-20-9-5-2-6-10-20)22(34)12-14-39-25-15-23(35)31(25)27(21)29(37)41-17-19-7-3-1-4-8-19/h1-10,25-26,33-34H,11-18H2/b27-21+,28-22+/t25-,26+
InChIKey ACULPTUMIXABPT-BYXYQKSXSA-N
Mol Weight 578.57 g/mol
Molecular Formula C30H30N2O10
Exact Mass 578.190045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56Bn493EIeM
Name 6,15-Dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylic acid, 3,12-dihydroxy-9,18-dioxo-, bis(phenylmethyl) ester, (2E,7R*,11E,16S*)-(.+-.)-
CAS Registry Number 86087-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N2O10
InChI InChI=1S/C30H30N2O10/c33-21-11-13-40-26-16-24(36)32(26)28(30(38)42-18-20-9-5-2-6-10-20)22(34)12-14-39-25-15-23(35)31(25)27(21)29(37)41-17-19-7-3-1-4-8-19/h1-10,25-26,33-34H,11-18H2/b27-21+,28-22+/t25-,26+
InChIKey ACULPTUMIXABPT-BYXYQKSXSA-N
Molecular Weight 578.574 g/mol
SMILES O\C=1CCO[C@]2(CC(N2\C(=C\(CCO[C@@]2(CC(N2C/1C(OCc1ccccc1)=O)=O)[H])O)C(OCc1ccccc1)=O)=O)[H]
SPLASH splash10-014i-3690000000-ee214f889d2c1d633b5e
Source of Spectrum KC-1983-117-0
Synonyms dibenzyl (7R,16S)-3,12-dihydroxy-9,18-dioxo-6,15-dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylate Dibenzyl (7RS,16SR)-3,12-dihydroxy-9,18-dioxo-6,15-dioxa-1,10-diazatricyclo[14.2.0.0(7,10)]octadeca-2,11-diene-2,11-dicarboxylate
Wiley ID 1408347