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XESTOVANIN-B
SpectraBase Compound ID 3RKVENoSepC
InChI InChI=1S/C48H78O16/c1-22(2)14-16-32(62-45-41(56)38(53)42(29(10)61-45)64-46-40(55)37(52)35(50)28(9)60-46)24(5)18-20-48(58)26(7)30-13-12-19-47(30,11)43(57)31(48)21-25(6)33(17-15-23(3)4)63-44-39(54)36(51)34(49)27(8)59-44/h14-15,18,21,26-42,44-46,49-56,58H,12-13,16-17,19-20H2,1-11H3/b24-18+,25-21+/t26-,27+,28+,29-,30+,31?,32?,33?,34+,35+,36-,37-,38-,39-,40-,41-,42+,44+,45+,46+,47+,48-/m0/s1
InChIKey NSBJXDGZGSSJJM-SASGDJKWSA-N
Mol Weight 911.1 g/mol
Molecular Formula C48H78O16
Exact Mass 910.528986 g/mol
Enantiomer InChIKey NSBJXDGZGSSJJM-FDPMXQHOSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
Title Journal or Book Year
Triterpenoid glycosides from the Northeastern Pacific marine sponge Xestospongia vanilla Canadian Journal of Chemistry 1991

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