Spektraris NMR
12beta-Acetoxy-7alpha-hydroxygorgosterol
Common Name: 12beta-Acetoxy-7alpha-hydroxygorgosterol
Synonyms: 12beta-Acetoxy-7alpha-hydroxygorgosterol
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-17(2)19(4)31(7)16-26(31)18(3)23-9-10-24-29-25(15-28(32(23,24)8)36-20(5)33)30(6)12-11-22(34)13-21(30)14-27(29)35/h14,17-19,22-29,34-35H,9-13,15-16H2,1-8H3/t18-,19+,22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=CUYULTOZWPGDFW-OZYXUASZSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
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 : Gorgostanes; 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) | 36.9 |
| 2 (CH2) | 31.2 |
| 3 (CH) | 71.2 |
| 4 (CH2) | 41.8 |
| 5 (C) | 146 |
| 6 (CH) | 123.9 |
| 7 (CH) | 64.9 |
| 8 (CH) | 36.5 |
| 9 (CH) | 41.5 |
| 10 (C) | 37.5 |
| 11 (CH2) | 27 |
| 12 (CH) | 80.8 |
| 13 (C) | 46.1 |
| 14 (CH) | 57.4 |
| 15 (CH2) | 23.6 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 9 |
| 19 (CH3) | 18.1 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 22.2 |
| 22 (CH) | 30.6 |
| 23 (C) | 25.3 |
| 24 (CH) | 50.6 |
| 25 (CH) | 32.2 |
| 26 (CH3) | 21.5 |
| 27 (CH3) | 22.2 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.8 |
| 22a (CH2) | 21.5 |
| 23a (CH3) | 13.8 |
| 24a (CH3) | 15.4 |
