| SpectraBase Compound ID | 95jANM5p7I2 |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-41(2)27-9-12-45(6)28(8-7-22-23-17-42(3,21-48)13-15-46(23,40(56)57)16-14-44(22,45)5)43(27,4)11-10-29(41)61-38-34(55)35(25(50)20-59-38)62-39-33(54)31(52)36(26(18-47)60-39)63-37-32(53)30(51)24(49)19-58-37/h7,23-39,47-55H,8-21H2,1-6H3,(H,56,57)/t23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | ONRDJEQZDVGAQR-PECHJCCNSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrNWprMiNLW |
|---|---|
| Name | PATRINOVILOSIDE-A;MESEMBRYANTHEMOIDIGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-41(2)27-9-12-45(6)28(8-7-22-23-17-42(3,21-48)13-15-46(23,40(56)57)16-14-44(22,45)5)43(27,4)11-10-29(41)61-38-34(55)35(25(50)20-59-38)62-39-33(54)31(52)36(26(18-47)60-39)63-37-32(53)30(51)24(49)19-58-37/h7,23-39,47-55H,8-21H2,1-6H3,(H,56,57)/t23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,42+,43-,44+,45+,46-/m0/s1 |
| InChIKey | ONRDJEQZDVGAQR-PECHJCCNSA-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 | 899.083 g/mol |
| Source File Reference | UWIR4140 |