Spektraris NMR
Poricoic acid BM
Common Name: Poricoic acid BM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKey: InChIKey=KBQBNLHZTLWXML-SMFZDKLCSA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 39, 1165-9
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) | 35.9 |
| 2 (CH2) | 29.5 |
| 3 (C) | 174.4 |
| 4 (C) | 149 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 28.5 |
| 7 (CH) | 117.9 |
| 8 (C) | 141.8 |
| 9 (C) | 137.2 |
| 10 (C) | 38.8 |
| 11 (CH) | 120.4 |
| 12 (CH2) | 37 |
| 13 (C) | 45.6 |
| 14 (C) | 49.2 |
| 15 (CH2) | 43.7 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.7 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 22.2 |
| 20 (CH) | 48.3 |
| 21 (C) | 178.5 |
| 22 (CH2) | 33 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 125.1 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH2) | 112.2 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 24.8 |
| 3a (CH3) | 51.3 |
