| SpectraBase Compound ID | K823TksTgjh |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-19(18-26(31)32)6-13-23-20(2)7-14-24-28(3,4)25(16-17-29(23,24)5)34-27(33)15-10-21-8-11-22(30)12-9-21/h7-12,15,19,23-25,30H,6,13-14,16-18H2,1-5H3,(H,31,32)/b15-10+/t19-,23+,24?,25-,29-/m1/s1 |
| InChIKey | NXBXXIQYAWOZQT-KSWUWOGWSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95o4bACaOzX |
|---|---|
| Name | 3-ALPHA-O-TRANS-P-COUMARYL-7-LABDEN-15-OIC_ACID;HARBINATIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-19(18-26(31)32)6-13-23-20(2)7-14-24-28(3,4)25(16-17-29(23,24)5)34-27(33)15-10-21-8-11-22(30)12-9-21/h7-12,15,19,23-25,30H,6,13-14,16-18H2,1-5H3,(H,31,32)/b15-10+/t19-,23+,24?,25-,29-/m1/s1 |
| InChIKey | NXBXXIQYAWOZQT-KSWUWOGWSA-N |
| Literature Reference Author | J.Z.DENG,S.R.STARCK,S.M.HECHT,C.F.IJAMES,M.E.HEMLING |
| Literature Reference Citation | J.NAT.PROD.,62,1000(1999) |
| Literature Reference DOI | 10.1021/np990099r |
| Molecular Weight | 468.634 g/mol |
| Solvent | CD3OD:CDCl3 |
| Source File Reference | UWMZ2579 |