| SpectraBase Compound ID | 9fFjZJORRbk |
|---|---|
| InChI | InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,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 | ZLDXDSLOWPJHII-IQPMVHIZSA-N |
| Mol Weight | 1197.3 g/mol |
| Molecular Formula | C55H88O28 |
| Exact Mass | 1196.546212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NVXFCizOr6 |
|---|---|
| Name | SOLANIGROSIDE_E;(22-R,25-R)-3-BETA,15-ALPHA,23-ALPHA-TRIHYDROXY-5-ALPHA-SPIROSTAN-26-ON |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O28 |
| InChI | InChI=1S/C55H88O28/c1-18-12-29(60)55(83-47(18)71)19(2)30-43(82-55)36(65)31-23-7-6-21-13-22(8-10-53(21,4)24(23)9-11-54(30,31)5)75-51-45(80-50-40(69)37(66)32(61)20(3)74-50)41(70)42(28(15-57)77-51)78-52-46(81-49-39(68)34(63)26(59)17-73-49)44(35(64)27(14-56)76-52)79-48-38(67)33(62)25(58)16-72-48/h18-46,48-52,56-70H,6-17H2,1-5H3/t18-,19+,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 | ZLDXDSLOWPJHII-IQPMVHIZSA-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 | 1197.287 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15553 |