Spektraris NMR
Myrrhanone B
Common Name: Myrrhanone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-21(13-9-15-23(3)27(32)33)11-8-12-22(2)14-10-16-25-29(6)19-18-26(31)28(4,5)24(29)17-20-30(25,7)34/h11,14-15,24-25,34H,8-10,12-13,16-20H2,1-7H3,(H,32,33)/b21-11+,22-14+,23-15+/t24-,25+,29-,30+/m0/s1
InChIKey: InChIKey=RLNHWDNOTXLOJQ-WBFQLVIXSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Ando, S., Oominami, H., Murakami, T., Kimura, I., Yoshikawa, M. Bioorg Med Chem (2004) 12, 3037-46
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Polypodanes; 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) | 38.1 |
| 2 (CH2) | 33.8 |
| 3 (C) | 216.9 |
| 4 (C) | 47.4 |
| 5 (CH) | 55 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 43.4 |
| 8 (C) | 74 |
| 9 (CH) | 60.2 |
| 10 (C) | 38.5 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 125.2 |
| 14 (C) | 133.4 |
| 15 (CH2) | 37.9 |
| 16 (CH2) | 26.1 |
| 17 (CH) | 124.9 |
| 18 (C) | 134.6 |
| 19 (CH2) | 39.3 |
| 20 (CH2) | 27 |
| 21 (CH) | 144 |
| 22 (C) | 127.1 |
| 23 (CH3) | 26.2 |
| 24 (CH3) | 21.2 |
| 25 (CH3) | 14.7 |
| 26 (CH3) | 23.4 |
| 27 (CH3) | 16 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 12 |
| 30 (C) | 172.2 |
