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5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-DIHYDROXYMETHYL-16-ISOPROPYL-TETRACYCLO-[10.2.2.0-(1,10).0-(4,9)]-HEXADEC-15-ENE
SpectraBase Compound ID 9BX9Upkry6H
InChI InChI=1S/C31H46O3/c1-21(2)24-16-31-14-11-27-29(3,20-34-19-22-9-6-5-7-10-22)12-8-13-30(27,4)28(31)15-23(24)25(17-32)26(31)18-33/h5-7,9-10,16,21,23,25-28,32-33H,8,11-15,17-20H2,1-4H3/t23-,25-,26+,27?,28?,29-,30-,31+/m0/s1
InChIKey VCQPAASEYWVPTP-CWFSWVNNSA-N
Mol Weight 466.7 g/mol
Molecular Formula C31H46O3
Exact Mass 466.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjOJRcrPS7r
Name 5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-DIHYDROXYMETHYL-16-ISOPROPYL-TETRACYCLO-[10.2.2.0-(1,10).0-(4,9)]-HEXADEC-15-ENE
Compound Number XI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O3
InChI InChI=1S/C31H46O3/c1-21(2)24-16-31-14-11-27-29(3,20-34-19-22-9-6-5-7-10-22)12-8-13-30(27,4)28(31)15-23(24)25(17-32)26(31)18-33/h5-7,9-10,16,21,23,25-28,32-33H,8,11-15,17-20H2,1-4H3/t23-,25-,26+,27?,28?,29-,30-,31+/m0/s1
InChIKey VCQPAASEYWVPTP-CWFSWVNNSA-N
Literature Reference Author A.G.TOLSTIKOV,N.N.KARPYSHEV,O.V.TOLSTIKOVA,T.B.KHLEBNIKOVA,G .E.SALNIKOV,V.I.MAMA
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1134(2001)
Literature Reference DOI 10.1023/A:1013144431609
Molecular Weight 466.704 g/mol
Solvent CDCl3
Source File Reference UWVN5615