| SpectraBase Compound ID | 6ccXbVPVV3C |
|---|---|
| InChI | InChI=1S/C40H72O22/c1-4-5-13-21(14-11-9-7-6-8-10-12-20(42)15-24(43)44)58-39-35(32(52)28(48)23(60-39)17-55-37-33(53)29(49)25(45)18(2)56-37)62-40-36(31(51)27(47)22(16-41)59-40)61-38-34(54)30(50)26(46)19(3)57-38/h18-23,25-42,45-54H,4-17H2,1-3H3,(H,43,44)/t18-,19-,20-,21-,22+,23+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | JWKIOWGQARSDFT-FKJUYXGDSA-N |
| Mol Weight | 905.0 g/mol |
| Molecular Formula | C40H72O22 |
| Exact Mass | 904.451524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsfS2AuSeaL |
|---|---|
| Name | CRYPTOPHILIC_ACID_A;(+)-(3-S,12-S)-3,12-DIHYDROXYPALMITIC_ACID_12-O-{ALPHA-RHAMNOPYRANOSYL-(1->2)-O-BETA-GLUCOPYRANOSYL-(1->2) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H72O22 |
| InChI | InChI=1S/C40H72O22/c1-4-5-13-21(14-11-9-7-6-8-10-12-20(42)15-24(43)44)58-39-35(32(52)28(48)23(60-39)17-55-37-33(53)29(49)25(45)18(2)56-37)62-40-36(31(51)27(47)22(16-41)59-40)61-38-34(54)30(50)26(46)19(3)57-38/h18-23,25-42,45-54H,4-17H2,1-3H3,(H,43,44)/t18-,19-,20-,21-,22+,23+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | JWKIOWGQARSDFT-FKJUYXGDSA-N |
| Literature Reference Author | I.CALIS,Y.SEZGIN,A.A.DOENMEZ,P.RUEEDI,D.TASDEMIR |
| Literature Reference Citation | J.NAT.PROD.,70,43(2007) |
| Literature Reference DOI | 10.1021/np060511k |
| Molecular Weight | 904.998 g/mol |
| Sample ID | 29498 |
| Solvent | CD3OD |