| SpectraBase Compound ID | Izl6m9s2jff |
|---|---|
| InChI | InChI=1S/C62H102O31/c1-21-9-12-62(81-19-21)22(2)36-32(93-62)14-28-26-8-7-25-13-31(29(66)15-61(25,6)27(26)10-11-60(28,36)5)84-58-52(91-56-48(79)44(75)49(24(4)83-56)88-54-45(76)38(69)30(67)20-80-54)51(41(72)34(17-64)86-58)90-59-53(92-55-46(77)42(73)37(68)23(3)82-55)50(40(71)35(18-65)87-59)89-57-47(78)43(74)39(70)33(16-63)85-57/h21-59,63-79H,7-20H2,1-6H3/t21-,22+,23+,24-,25+,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-,53-,54+,55+,56-,57+,58-,59+,60+,61+,62+/m1/s1 |
| InChIKey | FLBOLQNVCGXTPX-WVSBIKNASA-N |
| Mol Weight | 1343.5 g/mol |
| Molecular Formula | C62H102O31 |
| Exact Mass | 1342.640506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D25NDg6SBSs |
|---|---|
| Name | #1;AGAVESIDE-C;3-BETA-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-( |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H102O31 |
| InChI | InChI=1S/C62H102O31/c1-21-9-12-62(81-19-21)22(2)36-32(93-62)14-28-26-8-7-25-13-31(29(66)15-61(25,6)27(26)10-11-60(28,36)5)84-58-52(91-56-48(79)44(75)49(24(4)83-56)88-54-45(76)38(69)30(67)20-80-54)51(41(72)34(17-64)86-58)90-59-53(92-55-46(77)42(73)37(68)23(3)82-55)50(40(71)35(18-65)87-59)89-57-47(78)43(74)39(70)33(16-63)85-57/h21-59,63-79H,7-20H2,1-6H3/t21-,22+,23+,24-,25+,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-,53-,54+,55+,56-,57+,58-,59+,60+,61+,62+/m1/s1 |
| InChIKey | FLBOLQNVCGXTPX-WVSBIKNASA-N |
| Literature Reference Author | G.C.UNIYAL,P.K.AGRAWAL,O.P.PATI,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,30,1336(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95232-4 |
| Molecular Weight | 1343.473 g/mol |
| Solvent | C5D5N_OR_CDCl3 |
| Source File Reference | UWLU34311 |