Spektraris NMR
Norselic acid B
Common Name: Norselic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h12,14,19-20,22-25,33H,2,6-11,13,15-17H2,1,3-5H3,(H,31,32)/t19-,20+,22-,23-,24+,25+,27+,28-,29+/m1/s1
InChIKey: InChIKey=KTOLWQCZNYCQTO-SHAFGOBASA-N
Formula: C29H44O4
Molecular Weight: 456.658354
Exact Mass: 456.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, W.S., Mutka, T., Vesley, B., Amsler, M.O., McClintock, J.B., Amsler, C.D., Perman, J.A., Singh, M.P., Maiese, W.M., Zaworotko, M.J., Kyle, D.E., Baker, B.J. J Nat Prod (2009) 72, 1842-6
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 (CH) | 158.4 |
| 2 (CH) | 127.7 |
| 3 (C) | 200.4 |
| 4 (CH2) | 41.2 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 37.8 |
| 9 (CH) | 50.1 |
| 10 (C) | 39.2 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 37.8 |
| 13 (C) | 57.1 |
| 14 (CH) | 57 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 56.7 |
| 18 (C) | 177.9 |
| 19 (CH3) | 13.2 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 28.8 |
| 23 (CH2) | 36 |
| 24 (C) | 78.5 |
| 25 (C) | 148 |
| 26 (CH2) | 111.2 |
| 27 (CH3) | 19.9 |
| 24a (CH2) | 32.5 |
| 24b (CH3) | 7.6 |
