Spektraris NMR
16-Deoxyporicoic acid B
Common Name: 16-Deoxyporicoic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,12,14,21-23H,3,8,10-11,13,15-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22+,23-,28+,29-,30+/m1/s1
InChIKey: InChIKey=ZYEKRDSCPDPVSG-XMWXQHOCSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
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) | 30.2 |
| 3 (C) | 176.6 |
| 4 (C) | 149.3 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 118 |
| 8 (C) | 142 |
| 9 (C) | 137.6 |
| 10 (C) | 38.8 |
| 11 (CH) | 120.5 |
| 12 (CH2) | 36.8 |
| 13 (C) | 44.7 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 17 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 48.8 |
| 21 (C) | 178.4 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.7 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 24.3 |
