| SpectraBase Compound ID | I3PAeQlnH4F |
|---|---|
| InChI | InChI=1S/C70H114O27/c1-32-60(75)47(78-12)27-56(83-32)93-62-34(3)84-53(25-45(62)73)92-61-33(2)85-54(26-46(61)74)94-63-36(5)87-57(29-49(63)80-14)96-65-38(7)89-59(31-51(65)82-16)97-66-37(6)88-58(30-50(66)81-15)95-64-35(4)86-55(28-48(64)79-13)91-42-19-20-67(10)41(23-42)17-18-43-44(67)24-52(90-40(9)72)68(11)69(76,39(8)71)21-22-70(43,68)77/h17,32-38,42-66,73-77H,18-31H2,1-16H3/t32-,33+,34+,35-,36+,37-,38+,42+,43-,44+,45-,46-,47-,48-,49-,50+,51-,52-,53-,54-,55+,56+,57-,58-,59+,60-,61+,62+,63+,64-,65+,66-,67+,68-,69-,70+/m1/s1 |
| InChIKey | HEGBNMAHVDMZEY-RYCIRMGHSA-N |
| Mol Weight | 1387.7 g/mol |
| Molecular Formula | C70H114O27 |
| Exact Mass | 1386.754748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JoEbaJK1KX |
|---|---|
| Name | #15;12-O-ACETYL-PERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXYPYRANOSYL-(1->4)-BETA-D-DIGITOXYPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O27 |
| InChI | InChI=1S/C70H114O27/c1-32-60(75)47(78-12)27-56(83-32)93-62-34(3)84-53(25-45(62)73)92-61-33(2)85-54(26-46(61)74)94-63-36(5)87-57(29-49(63)80-14)96-65-38(7)89-59(31-51(65)82-16)97-66-37(6)88-58(30-50(66)81-15)95-64-35(4)86-55(28-48(64)79-13)91-42-19-20-67(10)41(23-42)17-18-43-44(67)24-52(90-40(9)72)68(11)69(76,39(8)71)21-22-70(43,68)77/h17,32-38,42-66,73-77H,18-31H2,1-16H3/t32-,33+,34+,35-,36+,37-,38+,42+,43-,44+,45-,46-,47-,48-,49-,50+,51-,52-,53-,54-,55+,56+,57-,58-,59+,60-,61+,62+,63+,64-,65+,66-,67+,68-,69-,70+/m1/s1 |
| InChIKey | HEGBNMAHVDMZEY-RYCIRMGHSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 1387.659 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20839 |