![SCABEROSIDE-HC2;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-](/api/spectrum/OO803M4ei3/structure.png?h=300&w=458 "SCABEROSIDE-HC2;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-")
| SpectraBase Compound ID | 7KyJvFN9G9r |
|---|---|
| InChI | InChI=1S/C69H110O34/c1-25-37(75)40(78)44(82)59(94-25)99-51-32(73)24-93-62(54(51)102-60-45(83)41(79)49(26(2)95-60)97-58-47(85)50(31(72)23-92-58)98-56-42(80)38(76)29(70)21-90-56)103-63(88)69-18-17-64(3,4)19-28(69)27-11-12-34-66(7)15-14-36(65(5,6)33(66)13-16-67(34,8)68(27,9)20-35(69)74)96-61-48(86)52(46(84)53(101-61)55(87)89-10)100-57-43(81)39(77)30(71)22-91-57/h11,25-26,28-54,56-62,70-86H,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-,56-,57+,58-,59-,60+,61-,62+,66+,67-,68-,69-/m1/s1 |
| InChIKey | CGGUVDNDBSZQOA-RVISUICYSA-N |
| Mol Weight | 1483.6 g/mol |
| Molecular Formula | C69H110O34 |
| Exact Mass | 1482.687851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OO803M4ei3 |
|---|---|
| Name | SCABEROSIDE-HC2;3-O-BETA-[XYLOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)- |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H110O34 |
| InChI | InChI=1S/C69H110O34/c1-25-37(75)40(78)44(82)59(94-25)99-51-32(73)24-93-62(54(51)102-60-45(83)41(79)49(26(2)95-60)97-58-47(85)50(31(72)23-92-58)98-56-42(80)38(76)29(70)21-90-56)103-63(88)69-18-17-64(3,4)19-28(69)27-11-12-34-66(7)15-14-36(65(5,6)33(66)13-16-67(34,8)68(27,9)20-35(69)74)96-61-48(86)52(46(84)53(101-61)55(87)89-10)100-57-43(81)39(77)30(71)22-91-57/h11,25-26,28-54,56-62,70-86H,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-,56-,57+,58-,59-,60+,61-,62+,66+,67-,68-,69-/m1/s1 |
| InChIKey | CGGUVDNDBSZQOA-RVISUICYSA-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 | 1483.612 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1044 |