Spektraris NMR
(2β,3β)-2,3,14-Trihydroxystigmasta-4,7-dien-6-one
Common Name: (2β,3β)-2,3,14-Trihydroxystigmasta-4,7-dien-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-7-19(17(2)3)9-8-18(4)20-11-13-29(33)22-14-24(30)23-15-25(31)26(32)16-27(23,5)21(22)10-12-28(20,29)6/h14-15,17-21,25-26,31-33H,7-13,16H2,1-6H3/t18-,19-,20-,21+,25-,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=PRFCQWRYUHOSKH-ROZCXJQJSA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Kovganko, N.V., Sokolov, S.N. Chem Nat Compd (2001) 37, 162-6
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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) | 37.6 |
| 2 (CH) | 67.2 |
| 3 (CH) | 66.7 |
| 4 (CH) | 129.2 |
| 5 (C) | 147.5 |
| 6 (C) | 192.1 |
| 7 (CH) | 123.5 |
| 8 (C) | 168.8 |
| 9 (CH) | 44 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21 |
| 12 (CH2) | 30.8 |
| 13 (C) | 46.9 |
| 14 (C) | 84.8 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 50.9 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 22.4 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 20 |
| 22 (CH2) | 34.4 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 46.2 |
| 25 (CH) | 29.5 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 19.2 |
| 24a (CH2) | 23.4 |
| 24b (CH3) | 12.1 |
