Spektraris NMR
3-O-Methylmalonylcabraleahydroxylactone
Common Name: 3-O-Methylmalonylcabraleahydroxylactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=ANHOWKNWMOVOFJ-PFVOOUMGSA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kashiwada, Y., Sekiya, M., Yamazaki, K., Ikeshiro, Y., Fujioka, T., Yamagishi, T., Kitagawa, S., Takaishi, Y. J Nat Prod (2007) 70, 623-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 34.1 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 80.1 |
| 4 (C) | 36.8 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35 |
| 8 (C) | 40.5 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 25 |
| 13 (CH) | 43.1 |
| 14 (C) | 50.2 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 49.3 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16 |
| 20 (C) | 90.1 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 31.2 |
| 23 (CH2) | 29.2 |
| 24 (C) | 176.7 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 16.3 |
| 3a (C) | 165.9 |
| 3b (CH2) | 41.8 |
| 3c (C) | 167.2 |
| 3e (CH3) | 52.3 |
