Spektraris NMR
12b-acetoxy-7a,19-dihydroxygorgosterol
Common Name: 12b-acetoxy-7a,19-dihydroxygorgosterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-17(2)19(4)30(6)15-26(30)18(3)23-8-9-24-29-25(14-28(31(23,24)7)37-20(5)34)32(16-33)11-10-22(35)12-21(32)13-27(29)36/h13,17-19,22-29,33,35-36H,8-12,14-16H2,1-7H3/t18-,19+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=YRZCADRKQLYEGU-YRMWXLKQSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
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) | 33.5 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 71.1 |
| 4 (CH2) | 41.9 |
| 5 (C) | 141.3 |
| 6 (CH) | 128.6 |
| 7 (CH) | 64.7 |
| 8 (CH) | 37.9 |
| 9 (CH) | 41.6 |
| 10 (C) | 42.2 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 80.8 |
| 13 (C) | 46.4 |
| 14 (CH) | 57.4 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 9.2 |
| 19 (CH2) | 63.1 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 22.2 |
| 22 (CH) | 30.6 |
| 23 (C) | 25.3 |
| 24 (CH) | 50.7 |
| 25 (CH) | 32.2 |
| 26 (CH3) | 21.5 |
| 27 (CH3) | 22.2 |
| 12a (C) | 170.8 |
| 12b (CH3) | 21.8 |
| 22a (CH2) | 21.5 |
| 23a (CH3) | 13.8 |
| 24a (CH3) | 15.4 |
