Spektraris NMR
(2β,3β)-6-Oxostigmasta-4,7-diene-2,3-diyl diacetate
Common Name: (2β,3β)-6-Oxostigmasta-4,7-diene-2,3-diyl diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H50O5/c1-9-23(19(2)3)11-10-20(4)25-12-13-26-24-16-29(36)28-17-30(37-21(5)34)31(38-22(6)35)18-33(28,8)27(24)14-15-32(25,26)7/h16-17,19-20,23,25-27,30-31H,9-15,18H2,1-8H3/t20-,23-,25-,26+,27+,30-,31+,32-,33-/m1/s1
InChIKey: InChIKey=AWORNZRHPYCFQI-JNVDRPBSSA-N
Formula: C33H50O5
Molecular Weight: 526.748347
Exact Mass: 526.365825
NMR Solvent: CDCl3
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) | 35.7 |
| 2 (CH) | 67.8 |
| 3 (CH) | 67.1 |
| 4 (CH) | 124.6 |
| 5 (C) | 147.7 |
| 6 (C) | 189.4 |
| 7 (CH) | 124.3 |
| 8 (C) | 167.2 |
| 9 (CH) | 47.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 39.5 |
| 13 (C) | 45.4 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 22.6 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 56.8 |
| 18 (CH3) | 13.1 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 36.9 |
| 21 (CH3) | 19.6 |
| 22 (CH2) | 34.3 |
| 23 (CH2) | 26.8 |
| 24 (CH) | 46.4 |
| 25 (CH) | 29.8 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 20.4 |
| 24a (CH2) | 23.2 |
| 24b (CH3) | 12.6 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.5 |
| 3a (C) | 171 |
| 3b (CH3) | 21.7 |
