Spektraris NMR
(22R,23S)-17r,23-Epoxy-3Ç,22,24Õ-trihydroxy-27,28-bisnor-lanost-8-ene
Common Name: (22R,23S)-17r,23-Epoxy-3Ç,22,24Õ-trihydroxy-27,28-bisnor-lanost-8-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O4/c1-7-21(29)24-23(31)17(3)28(32-24)15-14-26(5)20-9-8-18-16(2)22(30)11-12-25(18,4)19(20)10-13-27(26,28)6/h16-18,21-24,29-31H,7-15H2,1-6H3/t16-,17-,18+,21-,22+,23-,24-,25+,26+,27+,28+/m1/s1
InChIKey: InChIKey=RCRAOVCUQYSARF-ICAGEASWSA-N
Formula: C28H46O4
Molecular Weight: 446.6635
Exact Mass: 446.33961
NMR Solvent: C5D5N
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) | 35.5 |
| 2 (CH2) | 32.6 |
| 3 (CH) | 75.6 |
| 4 (CH) | 39.9 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 21.2 |
| 8 (C) | 135.7 |
| 9 (C) | 134.1 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 25.6 |
| 13 (C) | 50.3 |
| 14 (C) | 50.1 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 41.2 |
| 17 (C) | 95.3 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 18.4 |
| 20 (CH) | 53.2 |
| 21 (CH3) | 16.5 |
| 22 (CH) | 81.2 |
| 23 (CH) | 83 |
| 24 (CH) | 73.6 |
| 25 (CH2) | 27.9 |
| 26 (CH3) | 10.9 |
| 28 (CH3) | 15.8 |
| 30 (CH3) | 26.9 |
