SpectraBase Compound ID | GKlCQCRVwgZ |
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InChI | InChI=1S/C33H52O5/c1-19(2)20(3)9-10-21(4)23-13-14-30(7)24-11-12-25-31(8,28(36)37)26(35)17-27(38-22(5)34)33(25)18-32(24,33)16-15-29(23,30)6/h19,21,23-27,35H,3,9-18H2,1-2,4-8H3,(H,36,37)/t21-,23-,24+,25+,26+,27+,29-,30+,31+,32+,33-/m1/s1 |
InChIKey | ZQZWWIJULHBFKT-MMTPFLLOSA-N |
Mol Weight | 528.8 g/mol |
Molecular Formula | C33H52O5 |
Exact Mass | 528.381475 g/mol |
SpectraBase Spectrum ID | IfZ1nlnReI4 |
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Name | 1-O-ACETYL-23-DEOXOJESSIC-ACID |
Compound Number | 11 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C33H52O5 |
InChI | InChI=1S/C33H52O5/c1-19(2)20(3)9-10-21(4)23-13-14-30(7)24-11-12-25-31(8,28(36)37)26(35)17-27(38-22(5)34)33(25)18-32(24,33)16-15-29(23,30)6/h19,21,23-27,35H,3,9-18H2,1-2,4-8H3,(H,36,37)/t21-,23-,24+,25+,26+,27+,29-,30+,31+,32+,33-/m1/s1 |
InChIKey | ZQZWWIJULHBFKT-MMTPFLLOSA-N |
Literature Reference Author | A.H.BANSKOTA,Y.TEZUKA,K.Q.TRAN,K.TANAKA,I.SAIKI,S.KADOTA |
Literature Reference Citation | CHEM.PHARM.BULL.,48,496(2000) |
Literature Reference DOI | 10.1248/cpb.48.496 |
Molecular Weight | 528.773 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU5008 |