![CAMELLIASAPONIN_A1;22-O-ANGELOYLCAMELLIAGENIN_A_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA](/api/spectrum/2OJkk0qn5kH/structure.png?h=300&w=458 "CAMELLIASAPONIN_A1;22-O-ANGELOYLCAMELLIAGENIN_A_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA")
| SpectraBase Compound ID | 8fj15BDNnhP |
|---|---|
| InChI | InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-46(83-50-41(70)39(68)37(66)29(21-60)77-50)43(42(71)44(81-52)47(72)73)80-51-45(35(64)27(62)22-75-51)82-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-/t26-,27+,28-,29+,30?,31?,32+,33-,34-,35+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,49+,50-,51+,52-,55-,56+,57+,58-/m0/s1 |
| InChIKey | KTCJGPRMIOCILW-XQQMHFQOSA-N |
| Mol Weight | 1189.3 g/mol |
| Molecular Formula | C58H92O25 |
| Exact Mass | 1188.592768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OJkk0qn5kH |
|---|---|
| Name | CAMELLIASAPONIN_A1;22-O-ANGELOYLCAMELLIAGENIN_A_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O25 |
| InChI | InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-46(83-50-41(70)39(68)37(66)29(21-60)77-50)43(42(71)44(81-52)47(72)73)80-51-45(35(64)27(62)22-75-51)82-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-/t26-,27+,28-,29+,30?,31?,32+,33-,34-,35+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,49+,50-,51+,52-,55-,56+,57+,58-/m0/s1 |
| InChIKey | KTCJGPRMIOCILW-XQQMHFQOSA-N |
| Literature Reference Author | M.YOSHIKAWA,T.MURAKAMI,S.YOSHIZUMI,N.MURAKAMI,J.YAMAHARA,H.M ATSUDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1899(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1899 |
| Molecular Weight | 1189.353 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19577 |