| SpectraBase Compound ID | 1j5Zcg2DjLJ |
|---|---|
| InChI | InChI=1S/C55H86O22/c1-24(2)12-11-17-54(9)45-31(71-26(4)57)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(66)77-54)73-49-44(35(60)29(58)22-69-49)76-47-38(63)37(62)41(25(3)70-47)74-46-39(64)42(30(59)23-68-46)75-48-40(65)43(67-10)36(61)32(21-56)72-48/h12-13,25,27,29-49,56,58-65H,11,14-23H2,1-10H3/t25-,27-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,52-,53+,54+,55-/m1/s1 |
| InChIKey | PTKHIGMILDFPQP-BDJMQTMKSA-N |
| Mol Weight | 1099.3 g/mol |
| Molecular Formula | C55H86O22 |
| Exact Mass | 1098.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUHYUZ2YSr8 |
|---|---|
| Name | DESULFATED-INTERCEDENSIDE-B;16-BETA-ACETOXY-3-O-[6''''-O-SULFATE-3''''-O-METHYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-QUINOV |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O22 |
| InChI | InChI=1S/C55H86O22/c1-24(2)12-11-17-54(9)45-31(71-26(4)57)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(66)77-54)73-49-44(35(60)29(58)22-69-49)76-47-38(63)37(62)41(25(3)70-47)74-46-39(64)42(30(59)23-68-46)75-48-40(65)43(67-10)36(61)32(21-56)72-48/h12-13,25,27,29-49,56,58-65H,11,14-23H2,1-10H3/t25-,27-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,52-,53+,54+,55-/m1/s1 |
| InChIKey | PTKHIGMILDFPQP-BDJMQTMKSA-N |
| 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 | 1099.275 g/mol |
| Solvent | C5D5N:D2O=4:1 |
| Source File Reference | UWSP146 |