![PUTRANJIVA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOP](/api/spectrum/ADLfEzRIRrI/structure.png?h=300&w=458 "PUTRANJIVA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOP")
| SpectraBase Compound ID | GX1Q3sXgzhp |
|---|---|
| InChI | InChI=1S/C60H96O27/c1-24-33(64)37(68)41(72)50(79-24)84-45-39(70)36(67)29(22-62)81-53(45)83-44-43(74)52(86-47(48(75)77-9)46(44)85-49-40(71)34(65)27(63)23-78-49)82-32-13-14-57(6)30(56(32,4)5)12-15-59(8)31(57)11-10-25-26-20-55(2,3)16-18-60(26,19-17-58(25,59)7)54(76)87-51-42(73)38(69)35(66)28(21-61)80-51/h10,24,26-47,49-53,61-74H,11-23H2,1-9H3/t24-,26?,27-,28-,29+,30?,31?,32+,33-,34+,35-,36+,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+,47+,49+,50-,51+,52-,53-,57+,58-,59-,60+/m1/s1 |
| InChIKey | NKWBZXMXJGGTTA-YUULCSACSA-N |
| Mol Weight | 1249.4 g/mol |
| Molecular Formula | C60H96O27 |
| Exact Mass | 1248.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADLfEzRIRrI |
|---|---|
| Name | PUTRANJIVA-SAPONIN-D;3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOP |
| Compound Number | 136 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H96O27 |
| InChI | InChI=1S/C60H96O27/c1-24-33(64)37(68)41(72)50(79-24)84-45-39(70)36(67)29(22-62)81-53(45)83-44-43(74)52(86-47(48(75)77-9)46(44)85-49-40(71)34(65)27(63)23-78-49)82-32-13-14-57(6)30(56(32,4)5)12-15-59(8)31(57)11-10-25-26-20-55(2,3)16-18-60(26,19-17-58(25,59)7)54(76)87-51-42(73)38(69)35(66)28(21-61)80-51/h10,24,26-47,49-53,61-74H,11-23H2,1-9H3/t24-,26?,27-,28-,29+,30?,31?,32+,33-,34+,35-,36+,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+,47+,49+,50-,51+,52-,53-,57+,58-,59-,60+/m1/s1 |
| InChIKey | NKWBZXMXJGGTTA-YUULCSACSA-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 | 1249.406 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1264 |