![CAMELLIASAPONIN_B1;22-O-ANGELOYLCAMELLIAGENIN_B_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA](/api/spectrum/XY1P5TExXN/structure.png?h=300&w=458 "CAMELLIASAPONIN_B1;22-O-ANGELOYLCAMELLIAGENIN_B_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA")
| SpectraBase Compound ID | 57d5vzg6ElM |
|---|---|
| InChI | InChI=1S/C58H90O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9-/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-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | MGTOPLIWMNGFCQ-VWRZYOSQSA-N |
| Mol Weight | 1203.3 g/mol |
| Molecular Formula | C58H90O26 |
| Exact Mass | 1202.572033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XY1P5TExXN |
|---|---|
| Name | CAMELLIASAPONIN_B1;22-O-ANGELOYLCAMELLIAGENIN_B_3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O26 |
| InChI | InChI=1S/C58H90O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9-/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-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | MGTOPLIWMNGFCQ-VWRZYOSQSA-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 | 1203.337 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19582 |