| SpectraBase Compound ID | EjuhA5hV3VU |
|---|---|
| InChI | InChI=1S/C55H84O27S.Na/c1-24(2)11-10-16-53(8)55(67)34(74-25(3)58)19-52(7)27-12-13-32-50(4,5)33(15-17-51(32,6)26(27)14-18-54(52,55)49(66)81-53)77-48-44(36(61)31(23-73-48)82-83(68,69)70)80-46-38(63)37(62)42(30(21-57)76-46)79-45-39(64)41(28(59)22-72-45)78-47-40(65)43(71-9)35(60)29(20-56)75-47;/h10-12,16,26,28-48,56-57,59-65,67H,13-15,17-23H2,1-9H3,(H,68,69,70);/q;+1/p-1/b16-10+;/t26-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47-,48+,51-,52+,53+,54-,55+;/m1./s1 |
| InChIKey | HPDBULMYHSBFDK-PKWLVEBNSA-M |
| Mol Weight | 1231.3 g/mol |
| Molecular Formula | C55H83NaO27S |
| Exact Mass | 1230.474013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FFy0Z7S8RD |
|---|---|
| Name | INTERCEDENSIDE-C;16-BETA-ACETOXY-3-O-[3'-O-METHYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)-4'-O-SULFAT |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H83NaO27S |
| InChI | InChI=1S/C55H84O27S.Na/c1-24(2)11-10-16-53(8)55(67)34(74-25(3)58)19-52(7)27-12-13-32-50(4,5)33(15-17-51(32,6)26(27)14-18-54(52,55)49(66)81-53)77-48-44(36(61)31(23-73-48)82-83(68,69)70)80-46-38(63)37(62)42(30(21-57)76-46)79-45-39(64)41(28(59)22-72-45)78-47-40(65)43(71-9)35(60)29(20-56)75-47;/h10-12,16,26,28-48,56-57,59-65,67H,13-15,17-23H2,1-9H3,(H,68,69,70);/q;+1/p-1/b16-10+;/t26-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47-,48+,51-,52+,53+,54-,55+;/m1./s1 |
| InChIKey | HPDBULMYHSBFDK-PKWLVEBNSA-M |
| Literature Reference Author | Z.R.ZOU,Y.H.YI,H.M.WU,J.H.WU,C.C.LIAW,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,66,1055(2003) |
| Literature Reference DOI | 10.1021/np030064y |
| Molecular Weight | 1231.298 g/mol |
| Solvent | C5D5N:D2O=4:1 |
| Source File Reference | UWSP144 |