SpectraBase Compound ID | 2N09YdjA0DY |
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InChI | InChI=1S/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,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+,45-,46+,47-,48-,49+,50-,51-/m1/s1 |
InChIKey | CEOFBCAKZKYATO-DSVLDNENSA-N |
Mol Weight | 1111.2 g/mol |
Molecular Formula | C51H82O26 |
Exact Mass | 1110.509433 g/mol |
SpectraBase Spectrum ID | LRXH7Pr2T9f |
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Name | #2;SOLANIGROSIDE_C;(22R,25R)-3-BETA,15-ALPHA,23-ALPHA-TRIHYDROXY-5-ALPHASPIROSTAN-26-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BET |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C51H82O26 |
InChI | InChI=1S/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,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+,45-,46+,47-,48-,49+,50-,51-/m1/s1 |
InChIKey | CEOFBCAKZKYATO-DSVLDNENSA-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 | 1111.196 g/mol |
Solvent | C5D5N |
Source File Reference | UWMZ15551 |