Spektraris NMR
3beta,11-Dihydroxy-5,6beta-epoxy-9,11-seco-5beta-gorgostane-9-one
Common Name: 3beta,11-Dihydroxy-5,6beta-epoxy-9,11-seco-5beta-gorgostane-9-one
Synonyms: 3beta,11-Dihydroxy-5,6beta-epoxy-9,11-seco-5beta-gorgostane-9-one
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17(2)19(4)28(6)16-24(28)18(3)22-8-9-23(27(22,5)12-13-31)21-14-25-30(34-25)15-20(32)10-11-29(30,7)26(21)33/h17-25,31-32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23-,24+,25+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=YAVBMUREITUUBC-BWZKGVDQSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
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) | 28.6 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 68 |
| 4 (CH2) | 38.6 |
| 5 (C) | 65.4 |
| 6 (CH) | 58.2 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 38.8 |
| 9 (C) | 214.8 |
| 10 (C) | 46.6 |
| 11 (CH2) | 58.8 |
| 12 (CH2) | 41.3 |
| 13 (C) | 45.9 |
| 14 (CH) | 45.3 |
| 15 (CH2) | 22.6 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 34.7 |
| 21 (CH3) | 21 |
| 22 (CH) | 32.1 |
| 23 (C) | 25.9 |
| 24 (CH) | 50.8 |
| 25 (CH) | 32 |
| 26 (CH3) | 22.3 |
| 27 (CH3) | 21.4 |
| 22a (CH2) | 21.4 |
| 23a (CH3) | 14.4 |
| 24a (CH3) | 15.2 |
