Spektraris NMR
6a,14-Dihydroxymanoyloxide-15,17-dien-16,19-olide diacetate
Common Name: 6a,14-Dihydroxymanoyloxide-15,17-dien-16,19-olide diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-17-14-24(32)35-20(17)15-23(34-19(3)31)28(7)13-10-22-27(6)12-9-11-26(4,5)25(27)21(33-18(2)30)16-29(22,8)36-28/h14-15,21-23,25H,9-13,16H2,1-8H3/b20-15-/t21-,22+,23?,25-,27+,28+,29+/m0/s1
InChIKey: InChIKey=CHXCFEHQTZXROO-MSAYMOESSA-N
Formula: C29H42O7
Molecular Weight: 502.640687
Exact Mass: 502.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Ulubelen, A., Tam, T.C.M., TaoChe, C. Phytochemistry (1996) 42, 1089-92
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.8 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 43.2 |
| 4 (C) | 33.3 |
| 5 (CH) | 61.7 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 49.4 |
| 8 (C) | 74.1 |
| 9 (CH) | 58.8 |
| 10 (C) | 33.3 |
| 11 (CH2) | 14.8 |
| 12 (CH2) | 36 |
| 13 (C) | 75 |
| 14 (CH) | 75.4 |
| 15 (CH) | 106.6 |
| 16 (C) | 152.2 |
| 17 (C) | 154.7 |
| 18 (CH) | 117.7 |
| 19 (C) | 172.2 |
| 20 (CH3) | 11.9 |
| 21 (CH3) | 25.9 |
| 22 (CH3) | 23.9 |
| 23 (CH3) | 36 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 16.8 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.8 |
| 14a (C) | 169.8 |
| 14b (CH3) | 21.9 |
