Spektraris NMR
(13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid
Common Name: (13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid
Synonyms: (13alpha,17S,24E)-3alpha-Hydroxy-17-methyl-14-demethyl-5alpha-lanosta-8,14,24-triene-26-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19(26(32)33)9-8-10-20(2)29(6)17-14-23-21-11-12-24-27(3,4)25(31)15-16-28(24,5)22(21)13-18-30(23,29)7/h9,14,20,24-25,31H,8,10-13,15-18H2,1-7H3,(H,32,33)/b19-9+/t20-,24+,25-,28-,29+,30-/m1/s1
InChIKey: InChIKey=GFTFIKIFKMPWNH-XUMMNONCSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDDl3 + DMSO-d6
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) | 29.5 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 74.5 |
| 4 (C) | 37 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 17.1 |
| 7 (CH2) | 26.1 |
| 8 (C) | 122.1 |
| 9 (C) | 142 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 25.2 |
| 13 (C) | 47.4 |
| 14 (C) | 148 |
| 15 (CH) | 115 |
| 16 (CH2) | 44.8 |
| 17 (C) | 49.8 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 18.4 |
| 20 (CH) | 37.4 |
| 21 (CH3) | 14.8 |
| 22 (CH2) | 26.7 |
| 23 (CH2) | 31 |
| 24 (CH) | 141.8 |
| 25 (C) | 127.1 |
| 26 (C) | 169.6 |
| 27 (CH3) | 11.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 16.1 |
