Spektraris NMR
3-Epi-astrapteridiol
Common Name: 3-Epi-astrapteridiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-26,31-32H,8-17H2,1-7H3/t18-,19-,20+,23-,24-,25+,26-,28+,29+,30-/m0/s1
InChIKey: InChIKey=DRTROQLYCJSMQX-GSULAHQPSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Stanikunaite, R., Radwan, M.M., Trappe, J.M., Fronczek, F., Ross, S.A. J Nat Prod (2008) 71, 2077-9
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) | 30.2 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 75.4 |
| 4 (C) | 38.5 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 28.2 |
| 8 (C) | 134.5 |
| 9 (C) | 135.5 |
| 10 (C) | 37.7 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 27.2 |
| 13 (C) | 44.9 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 31.5 |
| 17 (CH) | 47.3 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 42 |
| 21 (CH3) | 13.8 |
| 22 (CH) | 69.8 |
| 23 (CH2) | 24 |
| 24 (CH2) | 25.1 |
| 25 (CH) | 33.1 |
| 26 (CH) | 96.6 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 24.8 |
