SpectraBase Compound ID | 6djNOJVCbNa |
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InChI | InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
InChIKey | AVNXWYPJFUFAOZ-OHNZCQHASA-N |
Mol Weight | 502.7 g/mol |
Molecular Formula | C31H50O5 |
Exact Mass | 502.365825 g/mol |
SpectraBase Spectrum ID | L9yf1LkyeH9 |
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Name | 7-BETA-HYDROXY-23-DEOXO-JESSIC-ACID |
Compound Number | 12 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H50O5 |
InChI | InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
InChIKey | AVNXWYPJFUFAOZ-OHNZCQHASA-N |
Literature Reference Author | A.H.BANSKOTA,Y.TEZUKA,K.Q.TRAN,K.TANAKA,I.SAIKI,S.KADOTA |
Literature Reference Citation | J.NAT.PROD.,63,57(2000) |
Literature Reference DOI | 10.1021/np990336q |
Molecular Weight | 502.735 g/mol |
Solvent | C5D5N |
Source File Reference | UWRU1688 |