![PITHEDULOSIDE-G;OLEANOLIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSID](/api/spectrum/INNe2NdqaAL/structure.png?h=300&w=458 "PITHEDULOSIDE-G;OLEANOLIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSID")
| SpectraBase Compound ID | FHSVHXaLxuo |
|---|---|
| InChI | InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)/t24?,25-,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,49+,50-,51-,52+/m1/s1 |
| InChIKey | KFZSKNXELYGVEA-KPWNJHKOSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H84O21 |
| Exact Mass | 1044.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INNe2NdqaAL |
|---|---|
| Name | PITHEDULOSIDE-G;OLEANOLIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O21 |
| InChI | InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)/t24?,25-,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,49+,50-,51-,52+/m1/s1 |
| InChIKey | KFZSKNXELYGVEA-KPWNJHKOSA-N |
| Literature Reference Author | S.K.NIGAM,M.GOPAL,R.UDDIN,K.YOSHIKAWA,M.KAWAMOTO,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,44,1329(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00725-X |
| Molecular Weight | 1045.226 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWAN11 |