Spektraris NMR
Poricoic acid CM
Common Name: Poricoic acid CM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O4/c1-20(2)22(5)10-11-23(29(34)35)25-14-18-32(8)27-13-12-24(21(3)4)30(6,17-16-28(33)36-9)26(27)15-19-31(25,32)7/h13,15,20,23-25H,3,5,10-12,14,16-19H2,1-2,4,6-9H3,(H,34,35)/t23-,24+,25-,30+,31-,32+/m1/s1
InChIKey: InChIKey=BTOTUPNTIAMSIV-AFXNOFHMSA-N
Formula: C32H48O4
Molecular Weight: 496.722325
Exact Mass: 496.35526
NMR Solvent: CDCl3
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) | 35.5 |
| 2 (CH2) | 29.3 |
| 3 (C) | 174.8 |
| 4 (C) | 148.9 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 118 |
| 8 (C) | 141.3 |
| 9 (C) | 137.1 |
| 10 (C) | 38.4 |
| 11 (CH) | 119.9 |
| 12 (CH2) | 36.3 |
| 13 (C) | 44.1 |
| 14 (C) | 49.9 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 27 |
| 17 (CH) | 47.6 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 21.9 |
| 20 (CH) | 47.7 |
| 21 (C) | 178 |
| 22 (CH2) | 31 |
| 23 (CH2) | 32.1 |
| 24 (C) | 155.2 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 21.8 |
| 28 (CH2) | 111.8 |
| 29 (CH3) | 22 |
| 30 (CH3) | 24 |
| 3a (CH3) | 51.5 |
| 24a (CH2) | 106.9 |
