Spektraris NMR
Ocotillol I
Common Name: Ocotillol I
Synonyms: Ocotillol I
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=RQBNSDSKUAGBOI-JOTVTJJCSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fu L., Zhang S., Li N., Wang J., Zhao M., Sakai J., Hasegawa T., Mitsui T., Kataoka T., Oka S., Kiuchi M., Hirose K., Ando M. J Nat Prod (2005) 68, 198-206
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.1 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 39 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.3 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 42.8 |
| 14 (C) | 50 |
| 15 (CH2) | 27 |
| 16 (CH2) | 31.5 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16.2 |
| 20 (C) | 86.5 |
| 21 (CH3) | 27.2 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 86.3 |
| 25 (C) | 70.2 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 16.4 |
