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Herpetotriol

View entire compound with spectra: 1 NMR

Herpetotriol
SpectraBase Compound ID 2msGQ3vBqv1
InChI InChI=1S/C30H32O9/c1-35-24-12-17(6-7-23(24)34)27-22(15-33)20-11-18(13-26(37-3)30(20)38-27)28-21(14-32)19-9-16(5-4-8-31)10-25(36-2)29(19)39-28/h4-7,9-13,21-22,27-28,31-34H,8,14-15H2,1-3H3/b5-4+
InChIKey PXQVRUJZURVJHF-SNAWJCMRSA-N
Mol Weight 536.6 g/mol
Molecular Formula C30H32O9
Exact Mass 536.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8V8Zsd2U3hK
Name Herpetotriol
CAS Registry Number 106248-01-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H32O9
InChI InChI=1S/C30H32O9/c1-35-24-12-17(6-7-23(24)34)27-22(15-33)20-11-18(13-26(37-3)30(20)38-27)28-21(14-32)19-9-16(5-4-8-31)10-25(36-2)29(19)39-28/h4-7,9-13,21-22,27-28,31-34H,8,14-15H2,1-3H3/b5-4+
InChIKey PXQVRUJZURVJHF-SNAWJCMRSA-N
Literature Reference P.K. Agrawal, R.S. Thakur, Magn. Res. Chem. 23, 389 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD