Spektraris NMR
(5ξ,16α)-16-Hydroxy-3,24-dioxolanosta-7,9(11)-dien-21-oic acid
Common Name: (5ξ,16α)-16-Hydroxy-3,24-dioxolanosta-7,9(11)-dien-21-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,12,17-18,22-23,25,32H,8,10-11,13-16H2,1-7H3,(H,34,35)/t18?,22-,23-,25-,28+,29+,30-/m0/s1
InChIKey: InChIKey=URDXCYNVGQNYOD-GNTKEGRKSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kawagishi, H., Li, H., Tanno, O., Inoue, S., Ikeda, S., OhnishiKameyama, M., Nagata, T. Phytochemistry (1997) 46, 959-61
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) | 36.3 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.7 |
| 4 (C) | 47.5 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 120.8 |
| 8 (C) | 141.7 |
| 9 (C) | 144.4 |
| 10 (C) | 31.2 |
| 11 (CH) | 116.5 |
| 12 (CH2) | 35.5 |
| 13 (C) | 44.6 |
| 14 (C) | 48.7 |
| 15 (CH2) | 43.3 |
| 16 (CH) | 76.5 |
| 17 (CH) | 56.3 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 22 |
| 20 (CH) | 45.4 |
| 21 (C) | 179.8 |
| 22 (CH2) | 25.3 |
| 23 (CH2) | 37.3 |
| 24 (C) | 214.4 |
| 25 (CH) | 41 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 22.43 |
| 29 (CH3) | 25.31 |
| 30 (CH3) | 26 |
