| SpectraBase Compound ID | EbioY7vJ5fJ |
|---|---|
| InChI | InChI=1S/C55H88O27/c1-19-12-32(60)55(82-47(19)70)20(2)33-29(81-55)14-26-24-7-6-22-13-23(8-10-53(22,4)25(24)9-11-54(26,33)5)74-51-45(79-50-41(68)38(65)34(61)21(3)73-50)42(69)43(31(16-57)76-51)77-52-46(80-49-40(67)36(63)28(59)18-72-49)44(37(64)30(15-56)75-52)78-48-39(66)35(62)27(58)17-71-48/h19-46,48-52,56-69H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1 |
| InChIKey | JEHDEIWQIITMKD-AWIKYMJCSA-N |
| Mol Weight | 1181.3 g/mol |
| Molecular Formula | C55H88O27 |
| Exact Mass | 1180.551298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eTPyRdiKxA |
|---|---|
| Name | SOLANIGROSIDE_D;(22-R,25-R)-3-BETA,23-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-BETA-D-GLUCOPYR |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O27 |
| InChI | InChI=1S/C55H88O27/c1-19-12-32(60)55(82-47(19)70)20(2)33-29(81-55)14-26-24-7-6-22-13-23(8-10-53(22,4)25(24)9-11-54(26,33)5)74-51-45(79-50-41(68)38(65)34(61)21(3)73-50)42(69)43(31(16-57)76-51)77-52-46(80-49-40(67)36(63)28(59)18-72-49)44(37(64)30(15-56)75-52)78-48-39(66)35(62)27(58)17-71-48/h19-46,48-52,56-69H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1 |
| InChIKey | JEHDEIWQIITMKD-AWIKYMJCSA-N |
| Literature Reference Author | X.ZHOU,X.HE,G.WANG,H.GAO,G.ZHOU,W.YE,X.YAO |
| Literature Reference Citation | J.NAT.PROD.,69,1158(2006) |
| Literature Reference DOI | 10.1021/np060091z |
| Molecular Weight | 1181.288 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15552 |