![SCABEROSIDE-HG;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)](/api/spectrum/LsH4EghE35I/structure.png?h=300&w=458 "SCABEROSIDE-HG;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)")
| SpectraBase Compound ID | 2XzIWtkKXEe |
|---|---|
| InChI | InChI=1S/C70H112O35/c1-25-37(76)40(79)46(85)59(95-25)101-52-31(74)24-94-62(55(52)104-60-48(87)44(83)50(26(2)96-60)99-58-49(88)51(30(73)23-93-58)100-57-45(84)38(77)29(72)22-92-57)105-64(90)70-18-17-65(3,4)19-28(70)27-11-12-34-67(7)15-14-36(66(5,6)33(67)13-16-68(34,8)69(27,9)20-35(70)75)98-63-54(43(82)42(81)53(102-63)56(89)91-10)103-61-47(86)41(80)39(78)32(21-71)97-61/h11,25-26,28-55,57-63,71-88H,12-24H2,1-10H3/t25-,26+,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-,57-,58-,59-,60+,61+,62+,63-,67+,68-,69-,70-/m1/s1 |
| InChIKey | FHYXIYWDXZHAFI-ILNBDUPNSA-N |
| Mol Weight | 1513.6 g/mol |
| Molecular Formula | C70H112O35 |
| Exact Mass | 1512.698415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsH4EghE35I |
|---|---|
| Name | SCABEROSIDE-HG;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4) |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O35 |
| InChI | InChI=1S/C70H112O35/c1-25-37(76)40(79)46(85)59(95-25)101-52-31(74)24-94-62(55(52)104-60-48(87)44(83)50(26(2)96-60)99-58-49(88)51(30(73)23-93-58)100-57-45(84)38(77)29(72)22-92-57)105-64(90)70-18-17-65(3,4)19-28(70)27-11-12-34-67(7)15-14-36(66(5,6)33(67)13-16-68(34,8)69(27,9)20-35(70)75)98-63-54(43(82)42(81)53(102-63)56(89)91-10)103-61-47(86)41(80)39(78)32(21-71)97-61/h11,25-26,28-55,57-63,71-88H,12-24H2,1-10H3/t25-,26+,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-,57-,58-,59-,60+,61+,62+,63-,67+,68-,69-,70-/m1/s1 |
| InChIKey | FHYXIYWDXZHAFI-ILNBDUPNSA-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 | 1513.638 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1047 |