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PETROTETRAYNDIOL-B

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PETROTETRAYNDIOL-B
SpectraBase Compound ID 5HXNZht79RN
InChI InChI=1S/C46H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,45-48H,7-20,23-26,29-39,42H2/b6-5-,22-21-,28-27-/t45-,46-/m0/s1
InChIKey WZGVLTCUKBJJMW-YACZFKTLSA-N
Mol Weight 657.1 g/mol
Molecular Formula C46H72O2
Exact Mass 656.553232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IAAdS1DPE4
Name PETROTETRAYNDIOL-B
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H72O2
InChI InChI=1S/C46H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,45-48H,7-20,23-26,29-39,42H2/b6-5-,22-21-,28-27-/t45-,46-/m0/s1
InChIKey WZGVLTCUKBJJMW-YACZFKTLSA-N
Literature Reference Author J.S.KIM,Y.J.LIM,K.S.IM,J.H.JUNG,C.J.SHIM,C.O.LEE,J.HONG,H.LE E
Literature Reference Citation J.NAT.PROD.,62,554(1999)
Literature Reference DOI 10.1021/np9803427
Molecular Weight 657.076 g/mol
Solvent CD3OD
Source File Reference UWGE1177