Spektraris NMR
3h-Hydroxylupane-20,28-olide
Common Name: 3h-Hydroxylupane-20,28-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)20-11-14-29(7)21(27(20,5)13-12-22(25)31)9-8-19-23-18-10-15-30(23,17-16-28(19,29)6)24(32)33-26(18,3)4/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22-,23+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=VKWQHTUJVRHXPL-CMQCCSGNSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castilho, R.O., de Oliveira, R.R., Kaplan, M.A.C. Fitoterapia (2005) 76, 562-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 37.5 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.2 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 26.4 |
| 8 (C) | 40.4 |
| 9 (CH) | 52.6 |
| 10 (C) | 36.4 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 34.1 |
| 13 (CH) | 48 |
| 14 (C) | 41.3 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 30.3 |
| 17 (C) | 43.7 |
| 18 (CH) | 50.2 |
| 19 (CH) | 56.9 |
| 20 (C) | 87.5 |
| 21 (CH2) | 24.8 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 26.8 |
| 24 (CH3) | 17 |
| 25 (CH3) | 23.4 |
| 26 (CH3) | 21.1 |
| 27 (CH3) | 17.3 |
| 28 (C) | 179.3 |
| 29 (CH3) | 33 |
| 30 (CH3) | 18.9 |
