SpectraBase Compound ID | EhfXKmbNBrf |
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InChI | InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)37(66)29(21-61)80-49)45(74)51(78-24)84-47-35(64)27(62)22-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)38(67)30(81-50)23-77-48-42(71)39(68)36(65)28(20-60)79-48/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27-,28+,29+,30+,31?,32?,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 |
InChIKey | UTALRKDQMPEZAD-DZGMYLOISA-N |
Mol Weight | 1221.4 g/mol |
Molecular Formula | C59H96O26 |
Exact Mass | 1220.618983 g/mol |
SpectraBase Spectrum ID | 75kRNfq8hL5 |
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Name | SCABIOSAPONIN-F;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYLOLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->6 |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C59H96O26 |
InChI | InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)37(66)29(21-61)80-49)45(74)51(78-24)84-47-35(64)27(62)22-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)38(67)30(81-50)23-77-48-42(71)39(68)36(65)28(20-60)79-48/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27-,28+,29+,30+,31?,32?,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 |
InChIKey | UTALRKDQMPEZAD-DZGMYLOISA-N |
Literature Reference Author | Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO |
Literature Reference Citation | J.NAT.PROD.,67,604(2004) |
Literature Reference DOI | 10.1021/np0304722 |
Molecular Weight | 1221.396 g/mol |
Solvent | C5D5N |
Source File Reference | UWMZ7430 |