Spektraris NMR
Premyrsinol-3,17-dipropanoate-5-isobutyrate-7,13-diacetate
Common Name: Premyrsinol-3,17-dipropanoate-5-isobutyrate-7,13-diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O12/c1-11-22(37)42-15-33-21(43-18(6)35)13-20-24(31(20,8)9)27(33)32(10,46-19(7)36)30(40)34(41)14-17(5)26(44-23(38)12-2)25(34)28(33)45-29(39)16(3)4/h16-17,20-21,24-28,41H,11-15H2,1-10H3/t17-,20-,21+,24-,25+,26-,27-,28+,32-,33+,34+/m0/s1
InChIKey: InChIKey=ADUFIUPYZSUZKB-UOGDBKCJSA-N
Formula: C34H50O12
Molecular Weight: 650.754917
Exact Mass: 650.330227
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Belloro, E., Tron, G.C., Jakupovic, J., Ballero, M. J Nat Prod (1999) 62, 1399-404
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyclolathyranes; 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) | 42.8 |
| 2 (CH) | 37.3 |
| 3 (CH) | 78.2 |
| 4 (CH) | 50.4 |
| 5 (CH) | 68.7 |
| 6 (C) | 47.4 |
| 7 (CH) | 70.8 |
| 8 (CH2) | 22 |
| 9 (CH) | 18.8 |
| 10 (C) | 18.1 |
| 11 (CH) | 24.3 |
| 12 (CH) | 34.7 |
| 13 (C) | 86 |
| 14 (C) | 204.4 |
| 15 (C) | 84 |
| 16 (CH3) | 14 |
| 17 (CH2) | 63.3 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 23.8 |
| 3a (C) | 174.1 |
| 3b (CH2) | 27.7 |
| 3c (CH3) | 9 |
| 5a (C) | 175.1 |
| 5b (CH) | 34.1 |
| 5c (CH3) | 18.7 |
| 5ba (CH3) | 18.5 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.3 |
| 13a (C) | 170.6 |
| 13b (CH3) | 21.3 |
| 17a (C) | 173.7 |
| 17b (CH2) | 27.7 |
| 17c (CH3) | 8.8 |
