Spektraris NMR
12beta-Acetoxyergosta-5-ene-3beta,11beta,16-triol
Common Name: 12beta-Acetoxyergosta-5-ene-3beta,11beta,16-triol
Synonyms: 12beta-Acetoxyergosta-5-ene-3beta,11beta,16-triol
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-16(2)17(3)8-9-18(4)25-24(33)15-23-22-11-10-20-14-21(32)12-13-29(20,6)26(22)27(34)28(30(23,25)7)35-19(5)31/h10,16-18,21-28,32-34H,8-9,11-15H2,1-7H3/t17-,18+,21-,22-,23-,24?,25-,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=NLHKKMMSHLDPKW-MXORTOAHSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wright, A.D., Goclik, E., Konig, G.M. J Nat Prod (2003) 66, 157-60
Species:
Notes: Family : Steroids, Type : Ergostanes; 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) | 26.3 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 71.3 |
| 4 (CH2) | 41.3 |
| 5 (C) | 141.5 |
| 6 (CH) | 120.4 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 27.2 |
| 9 (CH) | 53.2 |
| 10 (C) | 36.9 |
| 11 (CH) | 70.4 |
| 12 (CH) | 82.7 |
| 13 (C) | 45.9 |
| 14 (CH) | 57.2 |
| 15 (CH2) | 41.1 |
| 16 (CH) | 70.7 |
| 17 (CH) | 55.1 |
| 18 (CH3) | 10.7 |
| 19 (CH3) | 22.6 |
| 20 (CH) | 39.6 |
| 21 (CH3) | 13.5 |
| 22 (CH2) | 23.6 |
| 23 (CH2) | 36.5 |
| 24 (CH) | 35 |
| 25 (CH) | 32.7 |
| 26 (CH3) | 18 |
| 27 (CH3) | 20.1 |
| 12a (C) | 170 |
| 12b (CH3) | 21.7 |
| 24a (CH3) | 15.2 |
