SpectraBase Compound ID | IqT9p7MbyAX |
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InChI | InChI=1S/C56H88O24/c1-11-24(2)46(70)80-45-44(69)56(23-73-25(3)60)27(18-51(45,4)5)26-12-13-31-52(6)16-15-33(53(7,22-59)30(52)14-17-54(31,8)55(26,9)19-32(56)61)76-50-42(78-49-39(67)37(65)35(63)29(21-58)75-49)40(68)41(43(79-50)47(71)72-10)77-48-38(66)36(64)34(62)28(20-57)74-48/h11-12,27-45,48-50,57-59,61-69H,13-23H2,1-10H3/b24-11-/t27-,28-,29-,30?,31?,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44-,45-,48+,49+,50+,52-,53+,54+,55+,56-/m0/s1 |
InChIKey | RGTNKIXWAOWJPX-YAZVKWPESA-N |
Mol Weight | 1145.3 g/mol |
Molecular Formula | C56H88O24 |
Exact Mass | 1144.566554 g/mol |
SpectraBase Spectrum ID | G6b8RwXTvka |
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Name | AESCULOSIDE-H;#8;21-O-ANGELOYL-28-O-ACETYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C56H88O24 |
InChI | InChI=1S/C56H88O24/c1-11-24(2)46(70)80-45-44(69)56(23-73-25(3)60)27(18-51(45,4)5)26-12-13-31-52(6)16-15-33(53(7,22-59)30(52)14-17-54(31,8)55(26,9)19-32(56)61)76-50-42(78-49-39(67)37(65)35(63)29(21-58)75-49)40(68)41(43(79-50)47(71)72-10)77-48-38(66)36(64)34(62)28(20-57)74-48/h11-12,27-45,48-50,57-59,61-69H,13-23H2,1-10H3/b24-11-/t27-,28-,29-,30?,31?,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44-,45-,48+,49+,50+,52-,53+,54+,55+,56-/m0/s1 |
InChIKey | RGTNKIXWAOWJPX-YAZVKWPESA-N |
Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
Literature Reference Citation | CHEM.PHARM.BULL.,47,1515(1999) |
Literature Reference DOI | 10.1248/cpb.47.1515 |
Molecular Weight | 1145.300 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU8367 |