Spektraris NMR
(23S,25R)-3a-Oxo-17,23-epoxy-9,19-cyclo-9b-lanostan-26,23-olide
Common Name: (23S,25R)-3a-Oxo-17,23-epoxy-9,19-cyclo-9b-lanostan-26,23-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-18-15-29(33-23(18)32)16-19(2)30(34-29)14-11-25(5)21-8-7-20-24(3,4)22(31)9-10-27(20)17-28(21,27)13-12-26(25,30)6/h18-21H,7-17H2,1-6H3/t18-,19-,20+,21+,25+,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=XXWDZEJDBBFJDZ-FAXNTKLTSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - O'Neill, J.A., Gallagher, O.P., Devine, K.J., Jones, P.W., Maguire, A.R. J Nat Prod (2005) 68, 125-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 25.3 |
| 2 (CH2) | 45 |
| 3 (C) | 216.3 |
| 4 (C) | 50.1 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 48.9 |
| 9 (C) | 21.2 |
| 10 (C) | 26 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.3 |
| 13 (C) | 48.9 |
| 14 (C) | 49.6 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 36 |
| 17 (C) | 99.6 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 43.1 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 45 |
| 23 (C) | 113.3 |
| 24 (CH2) | 36.6 |
| 25 (CH) | 35.7 |
| 26 (C) | 179.2 |
| 27 (CH3) | 15.2 |
| 28 (CH3) | 20.6 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 20.9 |
