![SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->](/api/spectrum/DDgFEUjgEmQ/structure.png?h=300&w=458 "SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->")
| SpectraBase Compound ID | 3DP4sTlBVVB |
|---|---|
| InChI | InChI=1S/C75H120O39/c1-26-39(82)43(86)48(91)64(103-26)109-55-33(80)25-102-67(58(55)112-65-50(93)45(88)53(27(2)104-65)107-63-52(95)54(32(79)24-101-63)108-61-46(89)40(83)30(77)22-99-61)114-69(97)75-18-17-70(3,4)19-29(75)28-11-12-36-72(7)15-14-38(71(5,6)35(72)13-16-73(36,8)74(28,9)20-37(75)81)106-68-59(113-66-49(92)44(87)42(85)34(21-76)105-66)56(51(94)57(111-68)60(96)98-10)110-62-47(90)41(84)31(78)23-100-62/h11,26-27,29-59,61-68,76-95H,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-,59-,61-,62+,63-,64-,65+,66-,67+,68-,72+,73-,74-,75-/m1/s1 |
| InChIKey | SXIZNRXQJSDMQG-QVKMHSAFSA-N |
| Mol Weight | 1645.7 g/mol |
| Molecular Formula | C75H120O39 |
| Exact Mass | 1644.740674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDgFEUjgEmQ |
|---|---|
| Name | SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1-> |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H120O39 |
| InChI | InChI=1S/C75H120O39/c1-26-39(82)43(86)48(91)64(103-26)109-55-33(80)25-102-67(58(55)112-65-50(93)45(88)53(27(2)104-65)107-63-52(95)54(32(79)24-101-63)108-61-46(89)40(83)30(77)22-99-61)114-69(97)75-18-17-70(3,4)19-29(75)28-11-12-36-72(7)15-14-38(71(5,6)35(72)13-16-73(36,8)74(28,9)20-37(75)81)106-68-59(113-66-49(92)44(87)42(85)34(21-76)105-66)56(51(94)57(111-68)60(96)98-10)110-62-47(90)41(84)31(78)23-100-62/h11,26-27,29-59,61-68,76-95H,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-,59-,61-,62+,63-,64-,65+,66-,67+,68-,72+,73-,74-,75-/m1/s1 |
| InChIKey | SXIZNRXQJSDMQG-QVKMHSAFSA-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 | 1645.754 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1048 |