Spektraris NMR
20-Hydroxylucidenic acid
Common Name: 20-Hydroxylucidenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27-,28-,29-/m0/s1
InChIKey: InChIKey=QVBJFSJKFHBAPS-KYRIWECLSA-N
Formula: C29H38O9
Molecular Weight: 530.607734
Exact Mass: 530.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Tagata, M., Ukiya, M., Tokuda, H., Suzuki, T., Kimura, Y. J Nat Prod (2005) 68, 559-63
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) | 34 |
| 2 (CH2) | 33.6 |
| 3 (C) | 214.9 |
| 4 (C) | 46.9 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 37.4 |
| 7 (C) | 198.4 |
| 8 (C) | 145.6 |
| 9 (C) | 149.6 |
| 10 (C) | 39.3 |
| 11 (C) | 193.3 |
| 12 (CH) | 78.6 |
| 13 (C) | 47.9 |
| 14 (C) | 58.9 |
| 15 (C) | 203.8 |
| 16 (CH2) | 35.4 |
| 17 (CH) | 48.8 |
| 18 (CH3) | 13 |
| 19 (CH3) | 18.7 |
| 20 (C) | 86.4 |
| 21 (CH3) | 26.1 |
| 22 (CH2) | 34.5 |
| 23 (CH2) | 28 |
| 24 (C) | 175.6 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 20.4 |
| 30 (CH3) | 21.1 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21 |
