SpectraBase Compound ID | 1wNBCrSr59z |
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InChI | InChI=1S/C53H88O22/c1-23-33(59)37(63)40(66)44(69-23)75-43-39(65)35(61)27(19-55)71-47(43)72-28-20-68-46(42(36(28)62)74-45-41(67)38(64)34(60)26(18-54)70-45)73-32-11-12-50(5)29(48(32,2)3)10-13-51(6)30(50)9-8-24-25-16-49(4,21-56)14-15-53(25,22-57)31(58)17-52(24,51)7/h8,23,25-47,54-67H,9-22H2,1-7H3/t23-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,49-,50-,51+,52+,53+/m0/s1 |
InChIKey | FUEJSDQPLRTIHO-BVWKTBKYSA-N |
Mol Weight | 1077.3 g/mol |
Molecular Formula | C53H88O22 |
Exact Mass | 1076.576724 g/mol |
SpectraBase Spectrum ID | KSKlhQjLl5H |
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Name | ARDISIMAMILLOSIDE-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL]-3-BET |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H88O22 |
InChI | InChI=1S/C53H88O22/c1-23-33(59)37(63)40(66)44(69-23)75-43-39(65)35(61)27(19-55)71-47(43)72-28-20-68-46(42(36(28)62)74-45-41(67)38(64)34(60)26(18-54)70-45)73-32-11-12-50(5)29(48(32,2)3)10-13-51(6)30(50)9-8-24-25-16-49(4,21-56)14-15-53(25,22-57)31(58)17-52(24,51)7/h8,23,25-47,54-67H,9-22H2,1-7H3/t23-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,49-,50-,51+,52+,53+/m0/s1 |
InChIKey | FUEJSDQPLRTIHO-BVWKTBKYSA-N |
Literature Reference Author | J.HUANG,Y.OGIHARA,H.ZHANG,N.SHIMIZU,T.TAKEDA |
Literature Reference Citation | CHEM.PHARM.BULL.,48,1413(2000) |
Literature Reference DOI | 10.1248/cpb.48.1413 |
Molecular Weight | 1077.269 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN4563 |