| SpectraBase Compound ID | 5Ur7XGi9kmr |
|---|---|
| InChI | InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3/t25?,27?,28?,29-,30-,31?,32?,33?,34?,35?,38?,39-,40?,41?,42?,43+,44?,45?,46?,47?,48-,49?,50?,51+,52?,53?,54-,55?,58?,59?,60?,61?,62?,63?/m0/s1 |
| InChIKey | GBWAAJJGXQJTTA-PVKBMDPOSA-N |
| Mol Weight | 1335.4 g/mol |
| Molecular Formula | C63H98O30 |
| Exact Mass | 1334.614292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3mLTbzJkEE |
|---|---|
| Name | Tubeimoside-ii |
| Comments | C/H - shift correlation |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C63H98O30 |
| InChI | InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3/t25?,27?,28?,29-,30-,31?,32?,33?,34?,35?,38?,39-,40?,41?,42?,43+,44?,45?,46?,47?,48-,49?,50?,51+,52?,53?,54-,55?,58?,59?,60?,61?,62?,63?/m0/s1 |
| InChIKey | GBWAAJJGXQJTTA-PVKBMDPOSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 27, 1439 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |