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2-ALPHA,5-ALPHA,10-BETA,13-ALPHA-TETRAACETOXY-1-BETA,7-BETA,9-ALPHA-TRIHYDROXY-4-BETA,20-EPOXYTAX-11-ENE;TAXUMAIROL-B
SpectraBase Compound ID 5IxuhFvMGkC
InChI InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1
InChIKey WJMBBODKITXTJA-HIRGMTDPSA-N
Mol Weight 568.6 g/mol
Molecular Formula C28H40O12
Exact Mass 568.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ldgtWz4zz1
Name 2-ALPHA,5-ALPHA,10-BETA,13-ALPHA-TETRAACETOXY-1-BETA,7-BETA,9-ALPHA-TRIHYDROXY-4-BETA,20-EPOXYTAX-11-ENE;TAXUMAIROL-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O12
InChI InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1
InChIKey WJMBBODKITXTJA-HIRGMTDPSA-N
Literature Reference Author Y.C.SHEN,H.R.TAI,C.Y.CHEN
Literature Reference Citation J.NAT.PROD.,59,173(1996)
Literature Reference DOI 10.1021/np960046z
Molecular Weight 568.618 g/mol
Solvent CDCl3
Source File Reference UWVP2602