![SCABEROSIDE-HA;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-E](/api/spectrum/9VZYxBuQ4Xl/structure.png?h=300&w=458 "SCABEROSIDE-HA;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-E")
| SpectraBase Compound ID | FyYE4sU0jiJ |
|---|---|
| InChI | InChI=1S/C54H86O22/c1-22-31(57)33(59)37(63)44(70-22)73-40-26(55)21-69-47(42(40)75-45-38(64)34(60)32(58)23(2)71-45)76-48(67)54-18-17-49(3,4)19-25(54)24-11-12-28-51(7)15-14-30(72-46-39(65)35(61)36(62)41(74-46)43(66)68-10)50(5,6)27(51)13-16-52(28,8)53(24,9)20-29(54)56/h11,22-23,25-42,44-47,55-65H,12-21H2,1-10H3/t22-,23+,25?,26-,27?,28?,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41+,42-,44-,45+,46-,47+,51+,52-,53-,54-/m1/s1 |
| InChIKey | CNHOJTDSJVHXTH-HTLUDZTRSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C54H86O22 |
| Exact Mass | 1086.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VZYxBuQ4Xl |
|---|---|
| Name | SCABEROSIDE-HA;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-E |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O22 |
| InChI | InChI=1S/C54H86O22/c1-22-31(57)33(59)37(63)44(70-22)73-40-26(55)21-69-47(42(40)75-45-38(64)34(60)32(58)23(2)71-45)76-48(67)54-18-17-49(3,4)19-25(54)24-11-12-28-51(7)15-14-30(72-46-39(65)35(61)36(62)41(74-46)43(66)68-10)50(5,6)27(51)13-16-52(28,8)53(24,9)20-29(54)56/h11,22-23,25-42,44-47,55-65H,12-21H2,1-10H3/t22-,23+,25?,26-,27?,28?,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41+,42-,44-,45+,46-,47+,51+,52-,53-,54-/m1/s1 |
| InChIKey | CNHOJTDSJVHXTH-HTLUDZTRSA-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 | 1087.264 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1040 |