Spektraris NMR
(13alpha,17S,24E)-3alpha,9,23-Trihydroxy-17-methyl-14-demethyl-5alpha-lanosta-14,24-diene-26-oic acid methyl ester
Common Name: (13alpha,17S,24E)-3alpha,9,23-Trihydroxy-17-methyl-14-demethyl-5alpha-lanosta-14,24-diene-26-oic acid methyl ester
Synonyms: (13alpha,17S,24E)-3alpha,9,23-Trihydroxy-17-methyl-14-demethyl-5alpha-lanosta-14,24-diene-26-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-19(26(34)36-8)17-21(32)18-20(2)28(5)13-11-22-23-9-10-24-27(3,4)25(33)12-14-30(24,7)31(23,35)16-15-29(22,28)6/h11,17,20-21,23-25,32-33,35H,9-10,12-16,18H2,1-8H3/b19-17+/t20-,21?,23+,24+,25-,28+,29-,30+,31-/m1/s1
InChIKey: InChIKey=CIVHEWNEBOOQEN-DMQZOWAFSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: C+P
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Adair, A., Dampawan, P., Taylor, W.C., Turner, P.C. Phytochemistry (2000) 55, 183-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 23.6 |
| 2 (CH2) | 25.1 |
| 3 (CH) | 76 |
| 4 (C) | 37.5 |
| 5 (CH) | 39 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 39.2 |
| 9 (C) | 75.3 |
| 10 (C) | 42.1 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 29 |
| 13 (C) | 49.1 |
| 14 (C) | 153.6 |
| 15 (CH) | 120.3 |
| 16 (CH2) | 44.7 |
| 17 (C) | 54 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 33 |
| 21 (CH3) | 15.1 |
| 22 (CH2) | 39.1 |
| 23 (CH) | 66.7 |
| 24 (CH) | 144.6 |
| 25 (C) | 126.9 |
| 26 (C) | 168.4 |
| 27 (CH3) | 12.7 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 22 |
| 30 (CH3) | 19.5 |
| 26a (CH3) | 51.8 |
