Spektraris NMR
11b-Acetoxyergost-5-ene-3b,12b,16-triol
Common Name: 11b-Acetoxyergost-5-ene-3b,12b,16-triol
Synonyms:
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(35-19(5)31)28(34)30(23,25)7/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+/m1/s1
InChIKey: InChIKey=WINQDQSWJYMIPD-WSBDIAFZSA-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) | 26.8 |
| 2 (CH2) | 31.3 |
| 3 (CH) | 71.1 |
| 4 (CH2) | 41.3 |
| 5 (C) | 140.6 |
| 6 (CH) | 121 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 27.4 |
| 9 (CH) | 52.2 |
| 10 (C) | 36.2 |
| 11 (CH) | 73.4 |
| 12 (CH) | 80 |
| 13 (C) | 47.2 |
| 14 (CH) | 57.3 |
| 15 (CH2) | 41 |
| 16 (CH) | 72.4 |
| 17 (CH) | 56.7 |
| 18 (CH3) | 10.2 |
| 19 (CH3) | 21.9 |
| 20 (CH) | 39.7 |
| 21 (CH3) | 12.1 |
| 22 (CH2) | 23.3 |
| 23 (CH2) | 37.1 |
| 24 (CH) | 35 |
| 25 (CH) | 32.7 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 20.1 |
| 11a (C) | 174.5 |
| 11b (CH3) | 21.8 |
| 24a (CH3) | 15.1 |
