| SpectraBase Compound ID | HwIeNPEcudZ |
|---|---|
| InChI | InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21-,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55-,56+,57+,58+/m1/s1 |
| InChIKey | VSQBWNYALURFOT-YRYJXNFXSA-N |
| Mol Weight | 1270.4 g/mol |
| Molecular Formula | C58H95NO29 |
| Exact Mass | 1269.598976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9JLW9DDGksO |
|---|---|
| Name | ESCULEOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H95NO29 |
| InChI | InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3/t21-,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47-,48+,49-,50+,51-,52+,53-,54-,55-,56+,57+,58+/m1/s1 |
| InChIKey | VSQBWNYALURFOT-YRYJXNFXSA-N |
| Literature Reference Author | H.MANABE,A.TAKEMOTO,H.MAEHARA,M.OHNO,Y.MURAKAMI,S.ITOH,T.NOH ARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1406(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1406 |
| Molecular Weight | 1270.382 g/mol |
| Source File Reference | UWIR3718 |