| SpectraBase Compound ID | 7H2pHV1fVzX |
|---|---|
| InChI | InChI=1S/C51H82O22/c1-20-9-14-50(64-19-20)23(4)51(63)31(73-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)67-47-43(72-44-38(60)35(57)32(54)21(2)65-44)40(62)41(30(18-53)69-47)70-46-42(37(59)33(55)22(3)66-46)71-45-39(61)36(58)34(56)29(17-52)68-45/h7,20-23,25-47,52-63H,8-19H2,1-6H3/t20-,21+,22+,23-,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-/m1/s1 |
| InChIKey | DYHUTWXSTAKMRJ-WFWBPIRHSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C51H82O22 |
| Exact Mass | 1046.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChXeLdGDgJJ |
|---|---|
| Name | #7;SOLANIGROSIDE_H;(25R)-3-BETA,17-ALPHA-DIHYDROXYSPIROSTAN-5-ENE-3-O-BETA-D-GLUCOPYRANSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-[ALPHA-L-RHAMNOPYRANOSYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O22 |
| InChI | InChI=1S/C51H82O22/c1-20-9-14-50(64-19-20)23(4)51(63)31(73-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,51)6)67-47-43(72-44-38(60)35(57)32(54)21(2)65-44)40(62)41(30(18-53)69-47)70-46-42(37(59)33(55)22(3)66-46)71-45-39(61)36(58)34(56)29(17-52)68-45/h7,20-23,25-47,52-63H,8-19H2,1-6H3/t20-,21+,22+,23-,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-/m1/s1 |
| InChIKey | DYHUTWXSTAKMRJ-WFWBPIRHSA-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 | 1047.199 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15555 |