![SCABIOSAPONIN-C;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-](/api/spectrum/E2zfLxTBlu7/structure.png?h=300&w=458 "SCABIOSAPONIN-C;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-")
| SpectraBase Compound ID | KaQvZKcw1oh |
|---|---|
| InChI | InChI=1S/C70H114O35/c1-26-38(74)55(103-58-49(85)43(79)33(24-93-58)99-59-51(87)46(82)40(76)30(21-72)97-59)54(90)62(95-26)104-56-44(80)34(101-60-52(88)47(83)41(77)31(22-73)98-60)25-94-63(56)102-37-12-13-67(6)35(66(37,4)5)11-14-69(8)36(67)10-9-27-28-19-65(2,3)15-17-70(28,18-16-68(27,69)7)64(91)105-61-53(89)48(84)42(78)32(100-61)23-92-57-50(86)45(81)39(75)29(20-71)96-57/h9,26,28-63,71-90H,10-25H2,1-8H3/t26-,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+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 |
| InChIKey | UXJRCJIXBOHUFH-NSDCKHDSSA-N |
| Mol Weight | 1515.6 g/mol |
| Molecular Formula | C70H114O35 |
| Exact Mass | 1514.714065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E2zfLxTBlu7 |
|---|---|
| Name | SCABIOSAPONIN-C;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O35 |
| InChI | InChI=1S/C70H114O35/c1-26-38(74)55(103-58-49(85)43(79)33(24-93-58)99-59-51(87)46(82)40(76)30(21-72)97-59)54(90)62(95-26)104-56-44(80)34(101-60-52(88)47(83)41(77)31(22-73)98-60)25-94-63(56)102-37-12-13-67(6)35(66(37,4)5)11-14-69(8)36(67)10-9-27-28-19-65(2,3)15-17-70(28,18-16-68(27,69)7)64(91)105-61-53(89)48(84)42(78)32(100-61)23-92-57-50(86)45(81)39(75)29(20-71)96-57/h9,26,28-63,71-90H,10-25H2,1-8H3/t26-,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+,56+,57+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70-/m0/s1 |
| InChIKey | UXJRCJIXBOHUFH-NSDCKHDSSA-N |
| Literature Reference Author | Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,67,604(2004) |
| Literature Reference DOI | 10.1021/np0304722 |
| Molecular Weight | 1515.654 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7424 |