| SpectraBase Compound ID | Gf14RPmvPiy |
|---|---|
| InChI | InChI=1S/C53H90O23/c1-21(9-10-30(49(5,6)68)75-46-41(67)38(64)35(61)27(18-55)73-46)31-23(56)16-51(8)28-15-25(71-45-40(66)37(63)34(60)26(17-54)72-45)43-48(3,4)29(11-12-53(43)20-52(28,53)14-13-50(31,51)7)74-47-42(33(59)24(57)19-69-47)76-44-39(65)36(62)32(58)22(2)70-44/h21-47,54-68H,9-20H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28?,29+,30-,31?,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43?,44+,45-,46+,47+,50-,51+,52+,53-/m1/s1 |
| InChIKey | AXYOSKBSYLNPDF-ZYPQVKETSA-N |
| Mol Weight | 1095.3 g/mol |
| Molecular Formula | C53H90O23 |
| Exact Mass | 1094.587289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pvx4g5n7Gd |
|---|---|
| Name | #5;TROJANOSIDE-E;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1-2)-BETA-D-XYLOPYRANOSYL-6-O-BETA-D-GLUCOPYRANOSYL-24-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-P |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90O23 |
| InChI | InChI=1S/C53H90O23/c1-21(9-10-30(49(5,6)68)75-46-41(67)38(64)35(61)27(18-55)73-46)31-23(56)16-51(8)28-15-25(71-45-40(66)37(63)34(60)26(17-54)72-45)43-48(3,4)29(11-12-53(43)20-52(28,53)14-13-50(31,51)7)74-47-42(33(59)24(57)19-69-47)76-44-39(65)36(62)32(58)22(2)70-44/h21-47,54-68H,9-20H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28?,29+,30-,31?,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43?,44+,45-,46+,47+,50-,51+,52+,53-/m1/s1 |
| InChIKey | AXYOSKBSYLNPDF-ZYPQVKETSA-N |
| Literature Reference Author | E.BEDIR,I.CALIS,R.AQUINO,S.PIACENTE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,62,563(1999) |
| Literature Reference DOI | 10.1021/np980399t |
| Molecular Weight | 1095.284 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8716 |