Spektraris NMR
(25s)-(+)-12a-hydroxy-3a-malonyloxy-24-methyllanosta-8,24(31)-dien-26-oic acid
Common Name: (25s)-(+)-12a-hydroxy-3a-malonyloxy-24-methyllanosta-8,24(31)-dien-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O7/c1-19(21(3)30(39)40)9-10-20(2)22-13-16-33(7)23-11-12-25-31(4,5)27(41-29(38)18-28(36)37)14-15-32(25,6)24(23)17-26(35)34(22,33)8/h20-22,25-27,35H,1,9-18H2,2-8H3,(H,36,37)(H,39,40)/t20-,21+,22-,25+,26+,27-,32-,33+,34+/m1/s1
InChIKey: InChIKey=HMOMGSPWDYKCAH-JJPOTAKPSA-N
Formula: C34H52O7
Molecular Weight: 572.773774
Exact Mass: 572.371304
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Asanoma, M., Shibata, H., Hirota, M. J Nat Prod (2003) 66, 1104-6
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) | 30.5 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 80.2 |
| 4 (C) | 36.8 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 25.9 |
| 8 (C) | 134.8 |
| 9 (C) | 132.8 |
| 10 (C) | 36.6 |
| 11 (CH2) | 32.4 |
| 12 (CH) | 73.5 |
| 13 (C) | 49.5 |
| 14 (C) | 49.6 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 17.8 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 31.7 |
| 24 (C) | 148.3 |
| 25 (CH) | 45.4 |
| 26 (C) | 179.8 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.7 |
| 3a (C) | 166.7 |
| 3b (CH2) | 41.3 |
| 3c (C) | 170.4 |
| 24a (CH2) | 111.4 |
