![SCABEROSIDE-HF;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1-](/api/spectrum/4aHHwW2siCG/structure.png?h=300&w=458 "SCABEROSIDE-HF;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1-")
| SpectraBase Compound ID | 8QKwaDphstn |
|---|---|
| InChI | InChI=1S/C65H104O31/c1-24-35(70)38(73)44(79)54(87-24)92-48-29(68)23-86-57(51(48)95-55-46(81)42(77)47(25(2)88-55)91-53-43(78)36(71)28(67)22-85-53)96-59(83)65-18-17-60(3,4)19-27(65)26-11-12-32-62(7)15-14-34(61(5,6)31(62)13-16-63(32,8)64(26,9)20-33(65)69)90-58-50(41(76)40(75)49(93-58)52(82)84-10)94-56-45(80)39(74)37(72)30(21-66)89-56/h11,24-25,27-51,53-58,66-81H,12-23H2,1-10H3/t24-,25+,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-,53-,54-,55+,56+,57+,58-,62+,63-,64-,65-/m1/s1 |
| InChIKey | WTCJLFZTZIHYOO-HDOXMPLQSA-N |
| Mol Weight | 1381.5 g/mol |
| Molecular Formula | C65H104O31 |
| Exact Mass | 1380.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aHHwW2siCG |
|---|---|
| Name | SCABEROSIDE-HF;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1- |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H104O31 |
| InChI | InChI=1S/C65H104O31/c1-24-35(70)38(73)44(79)54(87-24)92-48-29(68)23-86-57(51(48)95-55-46(81)42(77)47(25(2)88-55)91-53-43(78)36(71)28(67)22-85-53)96-59(83)65-18-17-60(3,4)19-27(65)26-11-12-32-62(7)15-14-34(61(5,6)31(62)13-16-63(32,8)64(26,9)20-33(65)69)90-58-50(41(76)40(75)49(93-58)52(82)84-10)94-56-45(80)39(74)37(72)30(21-66)89-56/h11,24-25,27-51,53-58,66-81H,12-23H2,1-10H3/t24-,25+,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-,53-,54-,55+,56+,57+,58-,62+,63-,64-,65-/m1/s1 |
| InChIKey | WTCJLFZTZIHYOO-HDOXMPLQSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1381.522 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1046 |