Spektraris NMR
3β,7β-Dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid
Common Name: 3β,7β-Dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21-22,32,34H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,22+,28+,29-,30+/m1/s1
InChIKey: InChIKey=YYGLQGRXCIOCCM-PUJWXACQSA-N
Formula: C30H42O7
Molecular Weight: 514.651423
Exact Mass: 514.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guan, S.H., Yang, M., Wang, X.M., Xia, J.M., Zhang, Z.M., Liu, X., Guo, D.A. Magn Reson Chem (2007) 45, 789-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 34.6 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.2 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 26 |
| 7 (CH) | 67.1 |
| 8 (C) | 158 |
| 9 (C) | 142.2 |
| 10 (C) | 39.1 |
| 11 (C) | 197.4 |
| 12 (CH2) | 44.3 |
| 13 (C) | 51.4 |
| 14 (C) | 58.3 |
| 15 (C) | 210.9 |
| 16 (CH) | 122.4 |
| 17 (C) | 187.6 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 18.5 |
| 20 (CH) | 28.6 |
| 21 (CH3) | 19.4 |
| 22 (CH2) | 47.6 |
| 23 (C) | 205.8 |
| 24 (CH2) | 46.1 |
| 25 (CH) | 34.4 |
| 26 (C) | 179.9 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 33.2 |
