![#2;CLEMATIUNICINOSIDE-B;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O](/api/spectrum/KRYDIFMvIBg/structure.png?h=300&w=458 "#2;CLEMATIUNICINOSIDE-B;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O")
| SpectraBase Compound ID | 37Lg0de8xQR |
|---|---|
| InChI | InChI=1S/C70H114O35/c1-26-38(75)44(81)49(86)59(95-26)102-54-32(21-72)98-57(52(89)47(54)84)93-23-33-42(79)46(83)51(88)61(99-33)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)101-63-56(43(80)34(24-94-63)100-60-50(87)45(82)41(78)31(20-71)97-60)104-62-53(90)55(39(76)27(2)96-62)103-58-48(85)40(77)30(74)22-92-58/h9,26-27,29-63,71-90H,10-25H2,1-8H3/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-,60+,61+,62+,63+,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | WKKFVTGFDKKSFN-SHMQAOJXSA-N |
| Mol Weight | 1515.6 g/mol |
| Molecular Formula | C70H114O35 |
| Exact Mass | 1514.714065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRYDIFMvIBg |
|---|---|
| Name | #2;CLEMATIUNICINOSIDE-B;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O |
| 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(75)44(81)49(86)59(95-26)102-54-32(21-72)98-57(52(89)47(54)84)93-23-33-42(79)46(83)51(88)61(99-33)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)101-63-56(43(80)34(24-94-63)100-60-50(87)45(82)41(78)31(20-71)97-60)104-62-53(90)55(39(76)27(2)96-62)103-58-48(85)40(77)30(74)22-92-58/h9,26-27,29-63,71-90H,10-25H2,1-8H3/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-,60+,61+,62+,63+,66+,67+,68-,69-,70+/m1/s1 |
| InChIKey | WKKFVTGFDKKSFN-SHMQAOJXSA-N |
| Literature Reference Author | S.G.LI,X.J.HUANG,M.M.LI,M.WANG,R.B.FENG,W.ZHANG,Y.L.LI,Y.WAN G,W.C.YE |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,35(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00269 |
| Molecular Weight | 1515.654 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13807 |