SpectraBase Compound ID | Lit9PBAvZDk |
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InChI | InChI=1S/C54H86O22/c1-11-23(2)45(68)76-44-43(67)54(22-71-24(3)56)26(18-49(44,4)5)25-12-13-31-51(8)16-15-32(50(6,7)30(51)14-17-52(31,9)53(25,10)41(65)42(54)66)74-48-40(75-47-39(64)36(61)34(59)28(19-55)72-47)37(62)35(60)29(73-48)21-70-46-38(63)33(58)27(57)20-69-46/h11-12,26-44,46-48,55,57-67H,13-22H2,1-10H3/b23-11+/t26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,46-,47-,48-,51-,52+,53-,54-/m0/s1 |
InChIKey | MUNHZZCGLJQHNN-YDFVBYGGSA-N |
Mol Weight | 1087.3 g/mol |
Molecular Formula | C54H86O22 |
Exact Mass | 1086.561074 g/mol |
SpectraBase Spectrum ID | 2rCTn3OIX2n |
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Name | #4;RANUNCOSIDE-III;3-BETA,15-ALPHA,16-ALPHA,21-BETA,22-ALPHA,28-HEXAHYDROXY-DELTA(12)-OLEANANE-21-O-TIGLOYL-28-ACETYL-3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-[BE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H86O22 |
InChI | InChI=1S/C54H86O22/c1-11-23(2)45(68)76-44-43(67)54(22-71-24(3)56)26(18-49(44,4)5)25-12-13-31-51(8)16-15-32(50(6,7)30(51)14-17-52(31,9)53(25,10)41(65)42(54)66)74-48-40(75-47-39(64)36(61)34(59)28(19-55)72-47)37(62)35(60)29(73-48)21-70-46-38(63)33(58)27(57)20-69-46/h11-12,26-44,46-48,55,57-67H,13-22H2,1-10H3/b23-11+/t26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,46-,47-,48-,51-,52+,53-,54-/m0/s1 |
InChIKey | MUNHZZCGLJQHNN-YDFVBYGGSA-N |
Literature Reference Author | M.D.GRECA,A.FIORENTINO,P.MONACO,L.PREVITERA |
Literature Reference Citation | PHYTOCHEM.,36,1479(1994) |
Literature Reference DOI | 10.1016/S0031-9422(00)89746-0 |
Molecular Weight | 1087.264 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU26424 |