Spektraris NMR
(22R,23S)-17r,23-Epoxy-22,29-dihydroxy-27-norlanost-8-en-3,24-dione
Common Name: (22R,23S)-17r,23-Epoxy-22,29-dihydroxy-27-norlanost-8-en-3,24-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O5/c1-7-20(31)24-23(33)17(2)29(34-24)15-14-27(5)19-8-9-21-25(3,18(19)10-13-28(27,29)6)12-11-22(32)26(21,4)16-30/h17,21,23-24,30,33H,7-16H2,1-6H3/t17-,21-,23-,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey: InChIKey=MMHIRXWRADMMCA-PALSGZIYSA-N
Formula: C29H44O5
Molecular Weight: 472.657759
Exact Mass: 472.318875
NMR Solvent: P+D
MHz:
Calibration:
NMR references: 13C - Moodley, N., Mulholland, D.A., Crouch, N.R. J Nat Prod (2004) 67, 918-20
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) | 20.7 |
| 2 (CH2) | 36.6 |
| 3 (C) | 214.5 |
| 4 (C) | 54.4 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 26 |
| 8 (C) | 135.7 |
| 9 (C) | 133.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 24.8 |
| 13 (C) | 49.6 |
| 14 (C) | 49.3 |
| 15 (CH2) | 32 |
| 16 (CH2) | 33 |
| 17 (C) | 96.7 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 19.2 |
| 20 (CH) | 51.6 |
| 21 (CH3) | 15.6 |
| 22 (CH) | 79.3 |
| 23 (CH) | 87.2 |
| 24 (C) | 210.4 |
| 25 (CH2) | 33 |
| 26 (CH3) | 7.1 |
| 28 (CH3) | 19.9 |
| 29 (CH2) | 64.4 |
| 30 (CH3) | 26 |
