Spektraris NMR
Rosamultic acid
Common Name: Rosamultic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18-9-12-30(24(33)34)14-13-26(3)20(23(30)29(18,6)35)7-8-22-27(26,4)11-10-21-25(2,17-32)15-19(16-31)28(21,22)5/h7,15,18,21-23,31-32,35H,8-14,16-17H2,1-6H3,(H,33,34)/t18-,21+,22+,23-,25-,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=KQDIKHGGEUXUOH-JNRFZGABSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yeo, H., Park, S.Y., Kim, J. Phytochemistry (1998) 48, 1399-401
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 61.01 |
| 2 (C) | 158.14 |
| 3 (CH) | 131.22 |
| 4 (C) | 49.16 |
| 5 (CH) | 63.67 |
| 6 (CH2) | 18.04 |
| 7 (CH2) | 35.1 |
| 8 (C) | 42 |
| 9 (CH) | 43.92 |
| 10 (C) | 50.92 |
| 11 (CH2) | 27.16 |
| 12 (CH) | 128.1 |
| 13 (C) | 140.26 |
| 14 (C) | 42.34 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 26.41 |
| 17 (C) | 48.32 |
| 18 (CH) | 54.82 |
| 19 (C) | 72.68 |
| 20 (CH) | 42.34 |
| 21 (CH2) | 26.96 |
| 22 (CH2) | 38.51 |
| 23 (CH3) | 25.11 |
| 24 (CH2) | 66.51 |
| 25 (CH3) | 19.56 |
| 26 (CH3) | 18.81 |
| 27 (CH3) | 25.39 |
| 28 (C) | 180.73 |
| 29 (CH3) | 27.16 |
| 30 (CH3) | 16.76 |
