Spektraris NMR
Tyromycic Acid B
Common Name: Tyromycic Acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O7/c1-19(11-10-12-20(2)30(38)39)23-15-18-33(8)24-13-14-25-31(5,6)26(37)16-17-32(25,7)27(24)28(40-21(3)35)29(34(23,33)9)41-22(4)36/h12,19,23,25,28-29H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-/t19-,23-,25+,28-,29-,32+,33+,34+/m1/s1
InChIKey: InChIKey=ABJXQXSTZIZQEY-WCLUPPNXSA-N
Formula: C34H50O7
Molecular Weight: 570.757893
Exact Mass: 570.355654
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quang, D.N., Hashimoto, T., Tanaka, M., Takaoka, S., Asakawa, Y. J Nat Prod (2004) 67, 148-51
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) | 35.1 |
| 2 (CH2) | 34.3 |
| 3 (C) | 216.5 |
| 4 (C) | 47.4 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 19 |
| 7 (CH2) | 26.4 |
| 8 (C) | 143.7 |
| 9 (C) | 133 |
| 10 (C) | 36.7 |
| 11 (CH) | 68.8 |
| 12 (CH) | 72.9 |
| 13 (C) | 53.7 |
| 14 (C) | 47.1 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 26.2 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 13 |
| 19 (CH3) | 21.1 |
| 20 (CH) | 34.6 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 35 |
| 23 (CH2) | 27.7 |
| 24 (CH) | 146.8 |
| 25 (C) | 126 |
| 26 (CH3) | 20.6 |
| 27 (C) | 172.7 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 26 |
| 11a (C) | 170.5 |
| 11b (CH3) | 21.3 |
| 12a (C) | 170.3 |
| 12b (CH3) | 21.1 |
