| SpectraBase Compound ID | 7lXgTcfUqTh |
|---|---|
| InChI | InChI=1S/C60H94O26/c1-12-24(2)50(76)86-48-47(73)60(23-78-26(4)62)28(19-55(48,5)6)27-13-14-32-57(9)17-16-34(56(7,8)31(57)15-18-58(32,10)59(27,11)20-33(60)64)81-54-46(85-52-41(71)39(69)37(67)30(21-61)80-52)43(42(72)44(83-54)49(74)75)82-53-45(36(66)29(63)22-77-53)84-51-40(70)38(68)35(65)25(3)79-51/h12-13,25,28-48,51-54,61,63-73H,14-23H2,1-11H3,(H,74,75)/b24-12-/t25-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47-,48-,51-,52+,53-,54+,57-,58+,59+,60-/m0/s1 |
| InChIKey | QVUPOAIIMWGHCP-ABSBEPKUSA-N |
| Mol Weight | 1231.4 g/mol |
| Molecular Formula | C60H94O26 |
| Exact Mass | 1230.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BFja72KGa0 |
|---|---|
| Name | #9;FLORATHEASAPONIN-I;21-O-ANGELOYL-28-O-ACETYLTHEASAPOGENOL-B-3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H94O26 |
| InChI | InChI=1S/C60H94O26/c1-12-24(2)50(76)86-48-47(73)60(23-78-26(4)62)28(19-55(48,5)6)27-13-14-32-57(9)17-16-34(56(7,8)31(57)15-18-58(32,10)59(27,11)20-33(60)64)81-54-46(85-52-41(71)39(69)37(67)30(21-61)80-52)43(42(72)44(83-54)49(74)75)82-53-45(36(66)29(63)22-77-53)84-51-40(70)38(68)35(65)25(3)79-51/h12-13,25,28-48,51-54,61,63-73H,14-23H2,1-11H3,(H,74,75)/b24-12-/t25-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47-,48-,51-,52+,53-,54+,57-,58+,59+,60-/m0/s1 |
| InChIKey | QVUPOAIIMWGHCP-ABSBEPKUSA-N |
| Literature Reference Author | M.YOSHIKAWA,S.NAKAMURA,Y.KATO,K.MATSUHIRA,H.MATSUDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,598(2007) |
| Literature Reference DOI | 10.1248/cpb.55.598 |
| Molecular Weight | 1231.391 g/mol |
| Sample ID | 55555 |
| Solvent | C5D5N |