| SpectraBase Compound ID | 8V7bBSS6Fb |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-29(2)22-10-8-20-19-31(5)15-12-23-30(3,4)26(38-28(37)18-27(35)36)14-17-33(23,7)24(31)11-9-21(20)32(22,6)16-13-25(29)34/h8,21-26,34H,9-19H2,1-7H3,(H,35,36)/t21-,22-,23?,24?,25-,26-,31-,32+,33-/m0/s1 |
| InChIKey | FLBONCYMCTVFPW-WKACRTHLSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6esDyPLrxNi |
|---|---|
| Name | 21-ALPHA-HYDROXYSERRAT-14-EN-3-BETA-YL-PROPANEDIOIC-ACID-MONOESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-29(2)22-10-8-20-19-31(5)15-12-23-30(3,4)26(38-28(37)18-27(35)36)14-17-33(23,7)24(31)11-9-21(20)32(22,6)16-13-25(29)34/h8,21-26,34H,9-19H2,1-7H3,(H,35,36)/t21-,22-,23?,24?,25-,26-,31-,32+,33-/m0/s1 |
| InChIKey | FLBONCYMCTVFPW-WKACRTHLSA-N |
| Literature Reference Author | H.ZHOU,C.H.TAN,S.H.JIANG,D.Y.ZHU |
| Literature Reference Citation | J.NAT.PROD.,66,1328(2003) |
| Literature Reference DOI | 10.1021/np0301590 |
| Molecular Weight | 528.773 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1101 |