| SpectraBase Compound ID | LBCEJ8EtfJH |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-13(8-11-21)6-7-15-14(2)16(22)12-17-19(15,3)9-5-10-20(17,4)18(23)24/h8,15-17,21-22H,2,5-7,9-12H2,1,3-4H3,(H,23,24)/b13-8+/t15-,16-,17?,19+,20-/m0/s1 |
| InChIKey | UXMBBNGSLYIDOP-WCPLMJTOSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jaHGIv3tdI |
|---|---|
| Name | 7-BETA-HYDROXYISOCUPRESSIC_ACID;7-BETA,15-DIHYDROXYLABDA-8-(17),13-(E)-DIEN-19-OIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-13(8-11-21)6-7-15-14(2)16(22)12-17-19(15,3)9-5-10-20(17,4)18(23)24/h8,15-17,21-22H,2,5-7,9-12H2,1,3-4H3,(H,23,24)/b13-8+/t15-,16-,17?,19+,20-/m0/s1 |
| InChIKey | UXMBBNGSLYIDOP-WCPLMJTOSA-N |
| Literature Reference Author | S.J.LIN,J.P.N.ROSAZZA |
| Literature Reference Citation | J.NAT.PROD.,61,922(1998) |
| Literature Reference DOI | 10.1021/np980064b |
| Molecular Weight | 336.472 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ1130 |