SpectraBase Compound ID | Kt1NhTmU9Qi |
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InChI | InChI=1S/C41H68O15.Na/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46;/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46);/q;+1/p-1/b20-17+;/t21-,22+,23+,24-,26-,27+,28+,29+,30+,31-,32+,33-,34+,35+,36-,38+,39-,40+,41-;/m1./s1 |
InChIKey | UCNAWEWUUHTMDG-HEEGYVJESA-M |
Mol Weight | 823.0 g/mol |
Molecular Formula | C41H67NaO15 |
Exact Mass | 822.437766 g/mol |
SpectraBase Spectrum ID | 4jqxHJM3PH1 |
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Name | ARENARIC-ACID-SODIUM-SALT |
Compound Number | 1B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C41H67NaO15 |
InChI | InChI=1S/C41H68O15.Na/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46;/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46);/q;+1/p-1/b20-17+;/t21-,22+,23+,24-,26-,27+,28+,29+,30+,31-,32+,33-,34+,35+,36-,38+,39-,40+,41-;/m1./s1 |
InChIKey | UCNAWEWUUHTMDG-HEEGYVJESA-M |
Literature Reference Author | X.C.CHENG,P.R.JENSEN,W.FENICAL |
Literature Reference Citation | J.NAT.PROD.,62,605(1999) |
Literature Reference DOI | 10.1021/np9801357 |
Molecular Weight | 822.964 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMP15022 |