| SpectraBase Compound ID | KUQRPHdDaHT |
|---|---|
| InChI | InChI=1S/C55H92O24/c1-23-33(61)43(78-47-41(69)38(66)35(63)28(19-57)74-47)44(79-48-42(70)39(67)36(64)29(20-58)75-48)49(72-23)76-31-10-11-51(4)30(52(31,5)21-59)9-12-53(6)45(51)26(71-8)15-24-25-16-50(2,3)13-14-55(25,22-60)32(17-54(24,53)7)77-46-40(68)37(65)34(62)27(18-56)73-46/h15,23,25-49,56-70H,9-14,16-22H2,1-8H3/t23-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-,49+,51-,52-,53+,54+,55+/m0/s1 |
| InChIKey | JRYUCKHMXUKVKI-OSHRHKSPSA-N |
| Mol Weight | 1137.3 g/mol |
| Molecular Formula | C55H92O24 |
| Exact Mass | 1136.597854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbnSxjXiRqJ |
|---|---|
| Name | #8;PLEUROSAPONIN-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL-16-O-BETA-D-GLUCOPYRANOSYL-11-ALPHA-METHOXYL-3-BETA,16-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H92O24 |
| InChI | InChI=1S/C55H92O24/c1-23-33(61)43(78-47-41(69)38(66)35(63)28(19-57)74-47)44(79-48-42(70)39(67)36(64)29(20-58)75-48)49(72-23)76-31-10-11-51(4)30(52(31,5)21-59)9-12-53(6)45(51)26(71-8)15-24-25-16-50(2,3)13-14-55(25,22-60)32(17-54(24,53)7)77-46-40(68)37(65)34(62)27(18-56)73-46/h15,23,25-49,56-70H,9-14,16-22H2,1-8H3/t23-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48-,49+,51-,52-,53+,54+,55+/m0/s1 |
| InChIKey | JRYUCKHMXUKVKI-OSHRHKSPSA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 1137.321 g/mol |
| Source File Reference | UWBT4487 |