Spektraris NMR
7b,15a-dihydoxy-3-oxolup-20(29)-en-28-oic acid
Common Name: 7b,15a-dihydoxy-3-oxolup-20(29)-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-23(33)28(6)18(24(17)30)8-9-19-27(5)12-11-21(31)26(3,4)20(27)14-22(32)29(19,28)7/h17-20,22-24,32-33H,1,8-15H2,2-7H3,(H,34,35)/t17-,18+,19+,20-,22-,23-,24+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=VRBZQALCWVCKKK-DEWKCETOSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Takamine, Y., Yoshizumi, K., Tokuda, H., Kimura, Y., Ukiya, M., Nakahara, T., Yokochi, T., Ichiishi, E., Nishino, H. J Nat Prod (2002) 65, 278-82
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) | 39.8 |
| 2 (CH2) | 34.4 |
| 3 (C) | 216.1 |
| 4 (C) | 47 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 29.8 |
| 7 (CH) | 72.2 |
| 8 (C) | 49.6 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 38.3 |
| 14 (C) | 48.6 |
| 15 (CH) | 69.1 |
| 16 (CH2) | 42.3 |
| 17 (C) | 55.3 |
| 18 (CH) | 49.6 |
| 19 (CH) | 47.7 |
| 20 (C) | 151.1 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 37.7 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.2 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 11.3 |
| 27 (CH3) | 9.1 |
| 28 (C) | 178.7 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.7 |
