Spektraris NMR
Rhabdastrellin B
Common Name: Rhabdastrellin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-19(11-12-24(33)27(3,4)35)9-8-10-20(2)26-21(32)17-23-28(5)16-14-25(34)30(7,18-31)22(28)13-15-29(23,26)6/h8-12,22-25,31,33-35H,13-18H2,1-7H3/b10-8+,12-11+,19-9+,26-20+/t22-,23+,24?,25+,28+,29+,30-/m1/s1
InChIKey: InChIKey=WKAINZFICWJPQH-WFZSEPIISA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lv, F., Xu, M., Deng, Z., Voogd, N.J.d., Soest, R.V.M.v., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1738-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 33.7 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 80.3 |
| 4 (C) | 44.1 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 39.3 |
| 8 (C) | 45.3 |
| 9 (CH) | 51 |
| 10 (C) | 37.2 |
| 11 (CH2) | 36 |
| 12 (C) | 206.6 |
| 13 (C) | 147.1 |
| 14 (C) | 142.7 |
| 15 (CH) | 133.5 |
| 16 (CH) | 131.3 |
| 17 (CH) | 132.3 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 22.7 |
| 20 (C) | 138.8 |
| 21 (CH3) | 13.1 |
| 22 (CH) | 136.3 |
| 23 (CH) | 131.1 |
| 24 (CH) | 79.8 |
| 25 (C) | 73 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 24.1 |
| 29 (CH2) | 64.2 |
| 30 (CH3) | 24.9 |
