| SpectraBase Compound ID | 8aMbSpOND2P |
|---|---|
| InChI | InChI=1S/C64H104O30/c1-24-36(69)41(74)45(78)54(86-24)91-49-30(20-65)88-52(47(80)43(49)76)85-23-31-40(73)42(75)46(79)55(89-31)94-58(82)64-17-16-62(8)26(27(64)18-59(3,4)34(68)19-64)10-11-33-61(7)14-13-35(60(5,6)32(61)12-15-63(33,62)9)90-57-51(39(72)29(67)22-84-57)93-56-48(81)50(37(70)25(2)87-56)92-53-44(77)38(71)28(66)21-83-53/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25+,27+,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+,61+,62-,63-,64-/m1/s1 |
| InChIKey | ZUBPYPXGKGGDPG-JXRNXUPZSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C64H104O30 |
| Exact Mass | 1352.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9ySlXxUKNB |
|---|---|
| Name | #3;CLEMATIUNICINOSIDE-C;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-21-ALPHA-HYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O30 |
| InChI | InChI=1S/C64H104O30/c1-24-36(69)41(74)45(78)54(86-24)91-49-30(20-65)88-52(47(80)43(49)76)85-23-31-40(73)42(75)46(79)55(89-31)94-58(82)64-17-16-62(8)26(27(64)18-59(3,4)34(68)19-64)10-11-33-61(7)14-13-35(60(5,6)32(61)12-15-63(33,62)9)90-57-51(39(72)29(67)22-84-57)93-56-48(81)50(37(70)25(2)87-56)92-53-44(77)38(71)28(66)21-83-53/h10,24-25,27-57,65-81H,11-23H2,1-9H3/t24-,25+,27+,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+,61+,62-,63-,64-/m1/s1 |
| InChIKey | ZUBPYPXGKGGDPG-JXRNXUPZSA-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 | 1353.512 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13808 |