| SpectraBase Compound ID | 72shxteePXC |
|---|---|
| InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,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-/m1/s1 |
| InChIKey | MCPFEAJYKIXPQF-SXCUFEEXSA-N |
| Mol Weight | 1319.4 g/mol |
| Molecular Formula | C63H98O29 |
| Exact Mass | 1318.619377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJmwrEGdsvx |
|---|---|
| Name | Tubeimoside-I |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C63H98O29 |
| InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,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-/m1/s1 |
| InChIKey | MCPFEAJYKIXPQF-SXCUFEEXSA-N |
| Literature Reference | Tetrahedron Lett. 27, 5765 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |