Spektraris NMR
Fomlactone A
Common Name: Fomlactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H50O5/c1-18-17-33(20(3)19(2)28(35)38-33)37-27-16-24-23(31(8)15-12-22(18)32(27,31)9)10-11-25-29(5,6)26(36-21(4)34)13-14-30(24,25)7/h18-20,22,25-27H,10-17H2,1-9H3/t18-,19+,20+,22-,25+,26-,27-,30-,31+,32+,33+/m1/s1
InChIKey: InChIKey=SGSMRLJTYJLFMA-FPOLEOGZSA-N
Formula: C33H50O5
Molecular Weight: 526.748347
Exact Mass: 526.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, J., Feng, X.Z., Lu, Y., Zhao, B. J Nat Prod (2003) 66, 1249-51
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) | 30.9 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 77.9 |
| 4 (C) | 36.7 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 25.6 |
| 8 (C) | 135 |
| 9 (C) | 133.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 42.3 |
| 12 (CH) | 75.8 |
| 13 (C) | 52.6 |
| 14 (C) | 48.1 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 23.2 |
| 17 (CH) | 42.9 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 32.9 |
| 23 (C) | 110 |
| 24 (CH) | 28.7 |
| 25 (CH) | 50.6 |
| 26 (C) | 177.6 |
| 27 (CH3) | 13.8 |
| 28 (CH3) | 21.8 |
| 29 (CH3) | 27.6 |
| 30 (CH3) | 24.7 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.4 |
| 24a (CH3) | 13.1 |
