Spektraris NMR
3a-acetoxy-27-hydroxylup-20(29)-en-24-oic acid
Common Name: 3a-acetoxy-27-hydroxylup-20(29)-en-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-19(2)21-10-13-28(4)16-17-32(18-33)22(26(21)28)8-9-23-29(5)14-12-25(37-20(3)34)31(7,27(35)36)24(29)11-15-30(23,32)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25+,26+,28+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=SFMBHTKBXIQXHJ-LBIUZANVSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Atta ur, R., Naz, H., Fadimatou, Makhmoor, T., Yasin, A., Fatima, N., Ngounou, F.N., Kimbu, S.F., Sondengam, B.L., Choudhary, M.I. J Nat Prod (2005) 68, 189-93
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) | 33.6 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 73.9 |
| 4 (C) | 37.3 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33.8 |
| 8 (C) | 42.5 |
| 9 (CH) | 49.4 |
| 10 (C) | 40.6 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 37 |
| 14 (C) | 46.3 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 34.2 |
| 17 (C) | 46.3 |
| 18 (CH) | 50.1 |
| 19 (CH) | 48.9 |
| 20 (C) | 150.3 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 37 |
| 23 (CH3) | 23.4 |
| 24 (C) | 178.5 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 15.5 |
| 27 (CH2) | 59.6 |
| 28 (CH3) | 13 |
| 29 (CH2) | 109.2 |
| 30 (CH3) | 18.7 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21 |
