Spektraris NMR
(23S)-17a,23-Epoxy-3b,24ε-dihydroxy-27,28,29-trisnorlanost-trisnorlanost-8-ene
Common Name: (23S)-17a,23-Epoxy-3b,24ε-dihydroxy-27,28,29-trisnorlanost-trisnorlanost-8-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O3/c1-6-22(29)23-15-17(2)27(30-23)14-13-25(4)21-8-7-18-16-19(28)9-11-24(18,3)20(21)10-12-26(25,27)5/h17-19,22-23,28-29H,6-16H2,1-5H3/t17-,18+,19+,22-,23+,24+,25+,26+,27+/m1/s1
InChIKey: InChIKey=FYCHCUOBOSKILL-AEEQFOFTSA-N
Formula: C27H44O3
Molecular Weight: 416.637477
Exact Mass: 416.329045
NMR Solvent: CDCl3
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) | 21.4 |
| 2 (CH2) | 35 |
| 3 (CH) | 71.2 |
| 4 (CH2) | 38.3 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 41 |
| 7 (CH2) | 21.4 |
| 8 (C) | 135.2 |
| 9 (C) | 133.8 |
| 10 (C) | 35.6 |
| 11 (CH2) | 31.6 |
| 12 (CH2) | 24.8 |
| 13 (C) | 50.6 |
| 14 (C) | 48.7 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 35 |
| 17 (C) | 95.6 |
| 18 (CH3) | 19.1 |
| 19 (CH3) | 17.1 |
| 20 (CH) | 44.7 |
| 21 (CH3) | 17.6 |
| 22 (CH2) | 36.4 |
| 23 (CH) | 80.9 |
| 24 (CH) | 78.9 |
| 25 (CH2) | 25.6 |
| 26 (CH3) | 9.9 |
| 30 (CH3) | 26.5 |
