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1H-Benzimidazole-2-pentanoic acid, 3a,4,7,7a-tetrahydro-1-(phenylmethyl)-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, cis-

View entire compound with spectra: 1 MS (GC)

1H-Benzimidazole-2-pentanoic acid, 3a,4,7,7a-tetrahydro-1-(phenylmethyl)-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, cis-
SpectraBase Compound ID 7xSoLbQuTS8
InChI InChI=1S/C24H34N2O4/c1-24(16-27,17-28)18-30-23(29)14-8-7-13-22-25-20-11-5-6-12-21(20)26(22)15-19-9-3-2-4-10-19/h2-6,9-10,20-21,27-28H,7-8,11-18H2,1H3/t20-,21+/m1/s1
InChIKey FVXPYFYUGAZHSV-RTWAWAEBSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H34N2O4
Exact Mass 414.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYTt8GyCe9Q
Name 1H-Benzimidazole-2-pentanoic acid, 3a,4,7,7a-tetrahydro-1-(phenylmethyl)-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, cis-
CAS Registry Number 129905-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O4
InChI InChI=1S/C24H34N2O4/c1-24(16-27,17-28)18-30-23(29)14-8-7-13-22-25-20-11-5-6-12-21(20)26(22)15-19-9-3-2-4-10-19/h2-6,9-10,20-21,27-28H,7-8,11-18H2,1H3/t20-,21+/m1/s1
InChIKey FVXPYFYUGAZHSV-RTWAWAEBSA-N
Molecular Weight 414.546 g/mol
SMILES OCC(CO)(COC(CCCCC1=N[C@]2([C@@](N1Cc1ccccc1)(CC=CC2)[H])[H])=O)C
SPLASH splash10-009m-7920000000-a9f58f88ff9f05a395de
Source of Spectrum KC-1990-383-26
Synonyms 1-Benzyl-2-[4-(2-di-(hydroxymethyl)propyloxycarbonyl)butyl]-3a,4,7,7a-1H-benzo[d]imidazole 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl 5-[(3aR,7aS)-1-benzyl-3a,4,7,7a-tetrahydro-1H-benzimidazol-2-yl]pentanoate
Wiley ID 1375481