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13-ALPHA,19-ALPHA-5-HYDROXYMETHYL-5,9-DIMETHYL-21-ISOPROPYL-16-PHENYL-15,17-DIOXA-PENTACYCLO-[10.7.2.0(1,10).0(4,9).0(13,19)]-HENEICOS-20-ENE
SpectraBase Compound ID 6yHtSD7vxaP
InChI InChI=1S/C31H44O3/c1-20(2)23-16-31-14-11-26-29(3,19-32)12-8-13-30(26,4)27(31)15-22(23)24-17-33-28(34-18-25(24)31)21-9-6-5-7-10-21/h5-7,9-10,16,20,22,24-28,32H,8,11-15,17-19H2,1-4H3/t22-,24+,25+,26?,27?,28?,29-,30-,31+/m0/s1
InChIKey CNIIMVXQIUZDMD-GAWAZKLASA-N
Mol Weight 464.7 g/mol
Molecular Formula C31H44O3
Exact Mass 464.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EzRqNsGOjX
Name 13-ALPHA,19-ALPHA-5-HYDROXYMETHYL-5,9-DIMETHYL-21-ISOPROPYL-16-PHENYL-15,17-DIOXA-PENTACYCLO-[10.7.2.0(1,10).0(4,9).0(13,19)]-HENEICOS-20-ENE
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O3
InChI InChI=1S/C31H44O3/c1-20(2)23-16-31-14-11-26-29(3,19-32)12-8-13-30(26,4)27(31)15-22(23)24-17-33-28(34-18-25(24)31)21-9-6-5-7-10-21/h5-7,9-10,16,20,22,24-28,32H,8,11-15,17-19H2,1-4H3/t22-,24+,25+,26?,27?,28?,29-,30-,31+/m0/s1
InChIKey CNIIMVXQIUZDMD-GAWAZKLASA-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 464.689 g/mol
Solvent CDCl3
Source File Reference UWVN5607