| SpectraBase Compound ID | E85u15uSJ0o |
|---|---|
| InChI | InChI=1S/C61H96O28/c1-26-52(35(64)17-42(79-26)83-31-8-13-59(25-63)33-9-12-58(5)32(30-16-41(66)77-23-30)11-15-61(58,74)34(33)10-14-60(59,73)21-31)86-43-18-36(65)53(27(2)80-43)87-44-19-37(75-6)54(28(3)81-44)88-45-20-38(76-7)55(29(4)82-45)89-57-51(72)49(70)47(68)40(85-57)24-78-56-50(71)48(69)46(67)39(22-62)84-56/h16,25-29,31-40,42-57,62,64-65,67-74H,8-15,17-24H2,1-7H3/t26-,27+,28+,29+,31+,32-,33?,34?,35+,36-,37+,38+,39-,40-,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60+,61+/m1/s1 |
| InChIKey | XEIQQWHNJCOHTH-KKVCFECJSA-N |
| Mol Weight | 1277.4 g/mol |
| Molecular Formula | C61H96O28 |
| Exact Mass | 1276.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9Zn78vpJJk |
|---|---|
| Name | ALEPPOSIDE-C |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96O28 |
| InChI | InChI=1S/C61H96O28/c1-26-52(35(64)17-42(79-26)83-31-8-13-59(25-63)33-9-12-58(5)32(30-16-41(66)77-23-30)11-15-61(58,74)34(33)10-14-60(59,73)21-31)86-43-18-36(65)53(27(2)80-43)87-44-19-37(75-6)54(28(3)81-44)88-45-20-38(76-7)55(29(4)82-45)89-57-51(72)49(70)47(68)40(85-57)24-78-56-50(71)48(69)46(67)39(22-62)84-56/h16,25-29,31-40,42-57,62,64-65,67-74H,8-15,17-24H2,1-7H3/t26-,27+,28+,29+,31+,32-,33?,34?,35+,36-,37+,38+,39-,40-,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60+,61+/m1/s1 |
| InChIKey | XEIQQWHNJCOHTH-KKVCFECJSA-N |
| Literature Reference Author | G.F.PAULI |
| Literature Reference Citation | J.NAT.PROD.,58,483(1995) |
| Literature Reference DOI | 10.1021/np50118a002 |
| Molecular Weight | 1277.416 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP4067 |