| SpectraBase Compound ID | 6XH8YNhto9N |
|---|---|
| InChI | InChI=1S/C60H96O27/c1-25-11-16-59(54(75)87-51-43(72)40(69)38(67)32(83-51)22-78-49-44(73)41(70)46(31(20-62)82-49)86-53-48(74)60(76,23-63)24-79-53)18-17-57(7)28(36(59)26(25)2)9-10-34-56(6)14-13-35(55(4,5)33(56)12-15-58(34,57)8)84-52-47(80-27(3)64)45(29(65)21-77-52)85-50-42(71)39(68)37(66)30(19-61)81-50/h9,25-26,29-53,61-63,65-74,76H,10-24H2,1-8H3/t25-,26+,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-,56+,57-,58-,59+,60+/m1/s1 |
| InChIKey | MFMVZGHPDNPBMU-XLNVKKPPSA-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 | CrjhlvawTWG |
|---|---|
| Name | #5;PATRINOVILOSIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-(2'-O-ACETYL-ALPHA-L-ARABINOPYRANOSYL)-URSOLIC-ACID-28-O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H96O27 |
| InChI | InChI=1S/C60H96O27/c1-25-11-16-59(54(75)87-51-43(72)40(69)38(67)32(83-51)22-78-49-44(73)41(70)46(31(20-62)82-49)86-53-48(74)60(76,23-63)24-79-53)18-17-57(7)28(36(59)26(25)2)9-10-34-56(6)14-13-35(55(4,5)33(56)12-15-58(34,57)8)84-52-47(80-27(3)64)45(29(65)21-77-52)85-50-42(71)39(68)37(66)30(19-61)81-50/h9,25-26,29-53,61-63,65-74,76H,10-24H2,1-8H3/t25-,26+,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-,56+,57-,58-,59+,60+/m1/s1 |
| InChIKey | MFMVZGHPDNPBMU-XLNVKKPPSA-N |
| Literature Reference Author | J.Y.LEE,J.S.KIM,Y.S.KIM,S.S.KANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,971(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00306 |
| Molecular Weight | 1249.406 g/mol |
| Source File Reference | UWIR4141 |