Spektraris NMR
15α-Hydroxydehydrotumulosic acid
Common Name: 15α-Hydroxydehydrotumulosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O5/c1-17(2)18(3)9-10-19(27(35)36)24-25(33)26(34)31(8)21-11-12-22-28(4,5)23(32)14-15-29(22,6)20(21)13-16-30(24,31)7/h11,13,17,19,22-26,32-34H,3,9-10,12,14-16H2,1-2,4-8H3,(H,35,36)/t19-,22+,23+,24+,25+,26+,29-,30-,31-/m1/s1
InChIKey: InChIKey=WTFURVULOVLFRN-QXWBRJIASA-N
Formula: C31H48O5
Molecular Weight: 500.710994
Exact Mass: 500.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Nakamura, Y., Tokuda, H., Uchiyama, E., Suzuki, T., Kimura, Y., Uchikura, K., Nishino, H. J Nat Prod (2007) 70, 948-53
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.4 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 122.4 |
| 8 (C) | 141.8 |
| 9 (C) | 146.9 |
| 10 (C) | 37.9 |
| 11 (CH) | 116 |
| 12 (CH2) | 36.9 |
| 13 (C) | 41.7 |
| 14 (C) | 52 |
| 15 (CH) | 73.2 |
| 16 (CH) | 75.3 |
| 17 (CH) | 56.4 |
| 18 (CH3) | 18 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 48.3 |
| 21 (C) | 178.5 |
| 22 (CH2) | 31.7 |
| 23 (CH2) | 33.1 |
| 24 (C) | 156.2 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 22 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 18.3 |
| 24a (CH2) | 107 |
