Spektraris NMR
17-Benzoyloxy - 18,19 - isopropylidenedioxy - ent abd - 13 - en - 16,15 - olaAone
Common Name: 17-Benzoyloxy - 18,19 - isopropylidenedioxy - ent abd - 13 - en - 16,15 - olaAone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O5/c1-27(2)33-19-29(20-34-27)16-7-15-28(3)24(12-10-21-14-17-31-26(21)30)22(11-13-25(28)29)18-32-23-8-5-4-6-9-23/h4-6,8-9,14,22,24-25H,7,10-13,15-20H2,1-3H3/t22-,24-,25+,28+/m1/s1
InChIKey: InChIKey=OLTPTLACMZWRJV-HTFRYZPTSA-N
Formula: C29H40O5
Molecular Weight: 468.625996
Exact Mass: 468.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Joshi, B.S., Hegde, V.R., Kamat, V.N. Phytochemistry (1996) 42, 761-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 38.9 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 30.3 |
| 4 (C) | 39.1 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 53.1 |
| 9 (CH) | 39 |
| 10 (C) | 39.1 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 26.7 |
| 13 (C) | 132.7 |
| 14 (CH) | 144.8 |
| 15 (CH2) | 70.8 |
| 16 (C) | 174.1 |
| 17 (CH2) | 70.1 |
| 18 (CH2) | 62 |
| 19 (CH2) | 73.4 |
| 20 (CH3) | 14.2 |
| 21 (C) | 98.7 |
| 22 (CH3) | 21.7 |
| 23 (CH3) | 25.6 |
| 17a (C) | 133 |
| 17b (CH) | 129.9 |
| 17c (CH) | 127.9 |
| 17d (CH) | 133.8 |
| 17e (CH) | 127.9 |
| 17f (CH) | 129.9 |
