| SpectraBase Compound ID | 3GPuFqiLm9V |
|---|---|
| InChI | InChI=1S/C47H82O24/c1-7-8-16-27(17-14-12-10-9-11-13-15-26(50)19-30(51)52)66-46-42(35(57)33(55)29(68-46)21-62-44-38(60)36(58)40(23(4)63-44)65-25(6)49)71-47-43(34(56)32(54)28(20-48)67-47)70-45-39(61)37(59)41(24(5)64-45)69-31(53)18-22(2)3/h22-24,26-29,32-48,50,54-61H,7-21H2,1-6H3,(H,51,52)/t23-,24-,26-,27-,28+,29+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45-,46+,47-/m0/s1 |
| InChIKey | PZRZDIVRITXLSX-UIQYYZKGSA-N |
| Mol Weight | 1031.1 g/mol |
| Molecular Formula | C47H82O24 |
| Exact Mass | 1030.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vEaq4U2VvO |
|---|---|
| Name | CRYPTOPHILIC_ACID_C;(+)-(3-S,12-S)-3,12-DIHYDROXYPALMITIC_ACID_12-O-{4-O-ISOVALEROYL-ALPHA-RHAMNOPYRANOSYL-(1->2) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H82O24 |
| InChI | InChI=1S/C47H82O24/c1-7-8-16-27(17-14-12-10-9-11-13-15-26(50)19-30(51)52)66-46-42(35(57)33(55)29(68-46)21-62-44-38(60)36(58)40(23(4)63-44)65-25(6)49)71-47-43(34(56)32(54)28(20-48)67-47)70-45-39(61)37(59)41(24(5)64-45)69-31(53)18-22(2)3/h22-24,26-29,32-48,50,54-61H,7-21H2,1-6H3,(H,51,52)/t23-,24-,26-,27-,28+,29+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45-,46+,47-/m0/s1 |
| InChIKey | PZRZDIVRITXLSX-UIQYYZKGSA-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 | 1031.154 g/mol |
| Sample ID | 29500 |
| Solvent | CD3OD |