![AESCULOSIDE-G;#7;21-O-TIGLOYL-28-O-ACETYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE](/api/spectrum/32NZyCU7end/structure.png?h=300&w=458 "AESCULOSIDE-G;#7;21-O-TIGLOYL-28-O-ACETYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-METHYL-BETA-D-GLUCURONOPYRANOSATE")
| SpectraBase Compound ID | FIFvfoohtid |
|---|---|
| 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-FKWQTQKESA-N |
| Mol Weight | 1145.3 g/mol |
| Molecular Formula | C56H88O24 |
| Exact Mass | 1144.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32NZyCU7end |
|---|---|
| Name | AESCULOSIDE-G;#7;21-O-TIGLOYL-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-FKWQTQKESA-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 | UWLU8366 |