| SpectraBase Compound ID | EZgbNPc20b7 |
|---|---|
| InChI | InChI=1S/C53H94O29/c1-7-8-14-17-26(18-15-12-10-9-11-13-16-19-29(56)70-6)75-51-45(37(64)32(59)24(4)73-51)82-53-47(39(66)34(61)28(21-55)77-53)81-50-42(69)44(43(25(5)74-50)78-48-40(67)35(62)30(57)22(2)71-48)79-52-46(38(65)33(60)27(20-54)76-52)80-49-41(68)36(63)31(58)23(3)72-49/h22-28,30-55,57-69H,7-21H2,1-6H3/t22-,23+,24-,25+,26-,27+,28-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50+,51+,52-,53+/m0/s1 |
| InChIKey | OHRRDQUIPKLBHO-IYPNUKHFSA-N |
| Mol Weight | 1195.3 g/mol |
| Molecular Formula | C53H94O29 |
| Exact Mass | 1194.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwVgyT5ybC1 |
|---|---|
| Name | PURGIC_ACID_B_METHYLESTER;METHYL-(11-S)-HYDROXYHEXADECANOATE_11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[BETA-D-FUCOPYRAN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H94O29 |
| InChI | InChI=1S/C53H94O29/c1-7-8-14-17-26(18-15-12-10-9-11-13-16-19-29(56)70-6)75-51-45(37(64)32(59)24(4)73-51)82-53-47(39(66)34(61)28(21-55)77-53)81-50-42(69)44(43(25(5)74-50)78-48-40(67)35(62)30(57)22(2)71-48)79-52-46(38(65)33(60)27(20-54)76-52)80-49-41(68)36(63)31(58)23(3)72-49/h22-28,30-55,57-69H,7-21H2,1-6H3/t22-,23+,24-,25+,26-,27+,28-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50+,51+,52-,53+/m0/s1 |
| InChIKey | OHRRDQUIPKLBHO-IYPNUKHFSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,M.FRAGOSO-SERRANO,E.ESCALANTE-SANCHEZ,B.HER NANDEZ-CARLOS,E.LINA |
| Literature Reference Citation | J.NAT.PROD.,69,1460(2006) |
| Literature Reference DOI | 10.1021/np060295f |
| Molecular Weight | 1195.312 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17102 |