| SpectraBase Compound ID | 3Ou4xZ5IsKt |
|---|---|
| InChI | InChI=1S/C50H80O20.Na/c1-21-31(54)33(56)35(58)42(65-21)64-20-50-24(16-45(3,4)17-28(50)53)23-10-11-27-47(7)14-13-29(46(5,6)26(47)12-15-48(27,8)49(23,9)18-30(50)66-22(2)52)68-44-38(61)39(37(60)40(70-44)41(62)63)69-43-36(59)34(57)32(55)25(19-51)67-43;/h10,21,24-40,42-44,51,53-61H,11-20H2,1-9H3,(H,62,63);/q;+1/p-1/t21?,24?,25-,26?,27?,28+,29+,30+,31?,32-,33?,34+,35?,36-,37+,38-,39+,40+,42?,43+,44-,47+,48-,49-,50-;/m1./s1 |
| InChIKey | BYANYRZUJNKOKT-ZDUAJDPPSA-M |
| Mol Weight | 1023.2 g/mol |
| Molecular Formula | C50H79NaO20 |
| Exact Mass | 1022.506239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lBUA2cCcMX |
|---|---|
| Name | SODIUM-SALT-OF-ALTERNOSIDE-II |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H79NaO20 |
| InChI | InChI=1S/C50H80O20.Na/c1-21-31(54)33(56)35(58)42(65-21)64-20-50-24(16-45(3,4)17-28(50)53)23-10-11-27-47(7)14-13-29(46(5,6)26(47)12-15-48(27,8)49(23,9)18-30(50)66-22(2)52)68-44-38(61)39(37(60)40(70-44)41(62)63)69-43-36(59)34(57)32(55)25(19-51)67-43;/h10,21,24-40,42-44,51,53-61H,11-20H2,1-9H3,(H,62,63);/q;+1/p-1/t21?,24?,25-,26?,27?,28+,29+,30+,31?,32-,33?,34+,35?,36-,37+,38-,39+,40+,42?,43+,44-,47+,48-,49-,50-;/m1./s1 |
| InChIKey | BYANYRZUJNKOKT-ZDUAJDPPSA-M |
| Literature Reference Author | W.YE,X.LIN,Q.ZHANG,C.T.CHE,S.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,64,232(2001) |
| Literature Reference DOI | 10.1021/np0004451 |
| Molecular Weight | 1023.155 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU3881 |