SpectraBase Compound ID | 3A9aLI2OAP8 |
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InChI | InChI=1S/C54H84O22/c1-11-23(2)45(68)76-42-43(70-24(3)57)54(22-56)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h11-12,26-43,46-48,55-56,58-65H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48+,51-,52+,53+,54-/m0/s1 |
InChIKey | JNZRVUUXJGGFKC-ISHUMXQOSA-N |
Mol Weight | 1085.2 g/mol |
Molecular Formula | C54H84O22 |
Exact Mass | 1084.545424 g/mol |
SpectraBase Spectrum ID | Cas5RRhRx5D |
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Name | #14;ERYNGIOSIDE-K;21-BETA-ANGELOYLOXY-22-ALPHA-ACETYLOXY-O-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H84O22 |
InChI | InChI=1S/C54H84O22/c1-11-23(2)45(68)76-42-43(70-24(3)57)54(22-56)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h11-12,26-43,46-48,55-56,58-65H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48+,51-,52+,53+,54-/m0/s1 |
InChIKey | JNZRVUUXJGGFKC-ISHUMXQOSA-N |
Literature Reference Author | Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY |
Literature Reference Citation | PHYTOCHEM.,69,2070(2008) |
Literature Reference DOI | 10.1016/j.phytochem.2008.03.020 |
Molecular Weight | 1085.248 g/mol |
Sample ID | 63234 |
Solvent | C5D5N |