SpectraBase Compound ID | AIcIgCYcFn2 |
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InChI | InChI=1S/C54H86O26/c1-49(2)13-14-54(48(72)80-45-41(70)37(66)34(63)26(77-45)20-73-46-42(38(67)33(62)25(19-57)76-46)78-43-39(68)35(64)31(60)23(17-55)74-43)22(15-49)21-7-8-27-50(3)11-10-29(58)53(6,28(50)9-12-51(27,4)52(21,5)16-30(54)59)47(71)79-44-40(69)36(65)32(61)24(18-56)75-44/h7,22-46,55-70H,8-20H2,1-6H3/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,50+,51+,52+,53-,54+/m0/s1 |
InChIKey | VBBKYJHEVPBGBQ-RERBNGIMSA-N |
Mol Weight | 1151.3 g/mol |
Molecular Formula | C54H86O26 |
Exact Mass | 1150.540733 g/mol |
SpectraBase Spectrum ID | 2gqXTyoBjwV |
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Name | DIANVERSICOSIDE_F;23-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-ALPHA-DIHYDROXYOLEAN-12-EN-23-ALPHA,28-BETA-DIOIC_ACID_28-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)] |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H86O26 |
InChI | InChI=1S/C54H86O26/c1-49(2)13-14-54(48(72)80-45-41(70)37(66)34(63)26(77-45)20-73-46-42(38(67)33(62)25(19-57)76-46)78-43-39(68)35(64)31(60)23(17-55)74-43)22(15-49)21-7-8-27-50(3)11-10-29(58)53(6,28(50)9-12-51(27,4)52(21,5)16-30(54)59)47(71)79-44-40(69)36(65)32(61)24(18-56)75-44/h7,22-46,55-70H,8-20H2,1-6H3/t22-,23-,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,50+,51+,52+,53-,54+/m0/s1 |
InChIKey | VBBKYJHEVPBGBQ-RERBNGIMSA-N |
Literature Reference Author | L.MA,Y.C.GU,J.G.LUO,J.S.WANG,X.F.HUANG,L.Y.KONG |
Literature Reference Citation | J.NAT.PROD.,72,640(2009) |
Literature Reference DOI | 10.1021/np800589a |
Molecular Weight | 1151.261 g/mol |
Sample ID | 32377 |
Solvent | C5D5N |