| SpectraBase Compound ID | 9hu6qLFPJjf |
|---|---|
| InChI | InChI=1S/C45H80O23/c1-6-7-15-25(16-13-11-9-8-10-12-14-24(47)18-28(48)49)63-44-40(35(56)32(53)27(65-44)20-60-42-37(58)33(54)30(51)22(4)61-42)68-45-41(34(55)31(52)26(19-46)64-45)67-43-38(59)36(57)39(23(5)62-43)66-29(50)17-21(2)3/h21-27,30-47,51-59H,6-20H2,1-5H3,(H,48,49)/t22-,23-,24-,25-,26+,27+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,44+,45-/m0/s1 |
| InChIKey | CCZKCJQUMXQWRA-WFSZRHFWSA-N |
| Mol Weight | 989.1 g/mol |
| Molecular Formula | C45H80O23 |
| Exact Mass | 988.509039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KDl9NZBtrN |
|---|---|
| Name | #2;CRYPTOPHILIC_ACID_B;(+)-(3S,12S)-3,12-DIHYDROXYPALMITIC-ACID_12-O-[4-O-ISOVALEROYL-ALPHA-RHAMNOPYRANOSYL-(1->2)-O-BETA-GLUCOPYRANOSYL-(1->2)-O-[ALPHA-RHAMN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80O23 |
| InChI | InChI=1S/C45H80O23/c1-6-7-15-25(16-13-11-9-8-10-12-14-24(47)18-28(48)49)63-44-40(35(56)32(53)27(65-44)20-60-42-37(58)33(54)30(51)22(4)61-42)68-45-41(34(55)31(52)26(19-46)64-45)67-43-38(59)36(57)39(23(5)62-43)66-29(50)17-21(2)3/h21-27,30-47,51-59H,6-20H2,1-5H3,(H,48,49)/t22-,23-,24-,25-,26+,27+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,44+,45-/m0/s1 |
| InChIKey | CCZKCJQUMXQWRA-WFSZRHFWSA-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 | 989.116 g/mol |
| Sample ID | 29499 |
| Solvent | CD3OD |