![#3;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTO](/api/spectrum/GdMaovOvKGv/structure.png?h=300&w=458 "#3;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTO")
| SpectraBase Compound ID | 5MQIKVHwp0G |
|---|---|
| InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(16-14-51(4)22(23(54)17-49)7-8-28-50(3)11-10-30(58)53(6,47(69)70)29(50)9-12-52(28,51)5)48(71)79-45-40(68)41(34(62)27(76-45)21-72-43-38(66)35(63)31(59)24(18-55)73-43)77-46-42(37(65)33(61)26(20-57)75-46)78-44-39(67)36(64)32(60)25(19-56)74-44/h7,23-46,55-68H,8-21H2,1-6H3,(H,69,70)/t23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,43+,44-,45-,46-,50?,51?,52?,53-,54-/m0/s1 |
| InChIKey | BCSDZETWAUXFTN-ZGMIJHLSSA-N |
| Mol Weight | 1135.3 g/mol |
| Molecular Formula | C54H86O25 |
| Exact Mass | 1134.545818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdMaovOvKGv |
|---|---|
| Name | #3;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GALACTO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O25 |
| InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(16-14-51(4)22(23(54)17-49)7-8-28-50(3)11-10-30(58)53(6,47(69)70)29(50)9-12-52(28,51)5)48(71)79-45-40(68)41(34(62)27(76-45)21-72-43-38(66)35(63)31(59)24(18-55)73-43)77-46-42(37(65)33(61)26(20-57)75-46)78-44-39(67)36(64)32(60)25(19-56)74-44/h7,23-46,55-68H,8-21H2,1-6H3,(H,69,70)/t23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,43+,44-,45-,46-,50?,51?,52?,53-,54-/m0/s1 |
| InChIKey | BCSDZETWAUXFTN-ZGMIJHLSSA-N |
| Literature Reference Author | M.H.A.ELGAMAL,H.S.M.SOLIMAN,M.S.KARAWYA,B.MIKHOVA,H.DUDDECK |
| Literature Reference Citation | PHYTOCHEM.,38,1481(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00900-E |
| Molecular Weight | 1135.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4061 |