Spektraris NMR
3b,7b,15a-Trihydroxylup-20(29)-ene
Common Name: 3b,7b,15a-Trihydroxylup-20(29)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17(2)18-11-13-27(5)16-24(33)29(7)19(25(18)27)9-10-20-28(6)14-12-22(31)26(3,4)21(28)15-23(32)30(20,29)8/h18-25,31-33H,1,9-16H2,2-8H3/t18-,19+,20+,21-,22-,23-,24-,25+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=DZDCMPPRBYCVKH-JTDPMMLHSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukunaga T., Nishiya K., Kajikawa I., Watanabe Y., Suzuki N., Takeya K., Itokawa H. Chem Pharm Bull (1988) 36, 1180
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) | 38.8 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.7 |
| 4 (C) | 38.6 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 72.7 |
| 8 (C) | 47.9 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 25 |
| 13 (CH) | 37.6 |
| 14 (C) | 49.1 |
| 15 (CH) | 67.8 |
| 16 (CH2) | 45.6 |
| 17 (C) | 42.6 |
| 18 (CH) | 47.6 |
| 19 (CH) | 48.2 |
| 20 (C) | 150.4 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 10.9 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 18.9 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.5 |
