![SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[](/api/spectrum/4UwUuioGREe/structure.png?h=300&w=458 "SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[")
| SpectraBase Compound ID | GHKJXLRqdbK |
|---|---|
| InChI | InChI=1S/C74H118O38/c1-26-39(81)43(85)47(89)64(102-26)107-54-34(79)25-101-67(58(54)111-65-51(93)56(52(27(2)103-65)105-60-44(86)40(82)30(75)21-97-60)109-63-49(91)53(33(78)24-100-63)106-61-45(87)41(83)31(76)22-98-61)112-68(95)74-18-17-69(3,4)19-29(74)28-11-12-36-71(7)15-14-38(70(5,6)35(71)13-16-72(36,8)73(28,9)20-37(74)80)104-66-50(92)55(48(90)57(110-66)59(94)96-10)108-62-46(88)42(84)32(77)23-99-62/h11,26-27,29-58,60-67,75-93H,12-25H2,1-10H3/t26-,27-,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+,60-,61-,62-,63-,64-,65-,66+,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | RFEONNLNBJGJRM-LNJSUYPGSA-N |
| Mol Weight | 1615.7 g/mol |
| Molecular Formula | C74H118O38 |
| Exact Mass | 1614.730109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UwUuioGREe |
|---|---|
| Name | SCABEROSIDE-HD;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[ |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H118O38 |
| InChI | InChI=1S/C74H118O38/c1-26-39(81)43(85)47(89)64(102-26)107-54-34(79)25-101-67(58(54)111-65-51(93)56(52(27(2)103-65)105-60-44(86)40(82)30(75)21-97-60)109-63-49(91)53(33(78)24-100-63)106-61-45(87)41(83)31(76)22-98-61)112-68(95)74-18-17-69(3,4)19-29(74)28-11-12-36-71(7)15-14-38(70(5,6)35(71)13-16-72(36,8)73(28,9)20-37(74)80)104-66-50(92)55(48(90)57(110-66)59(94)96-10)108-62-46(88)42(84)32(77)23-99-62/h11,26-27,29-58,60-67,75-93H,12-25H2,1-10H3/t26-,27-,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+,60-,61-,62-,63-,64-,65-,66+,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | RFEONNLNBJGJRM-LNJSUYPGSA-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 | 1615.728 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1045 |