Common Name: Norselic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O4/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/h7-8,12,14,17,19,22-25,33H,2,6,9-11,13,15-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1
InChIKey: InChIKey=RZICIXRISYIONZ-QEYQUZSWSA-N
Formula: C29H40O4
Molecular Weight: 452.626591
Exact Mass: 452.29266
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)
Position | PPM |
---|---|
1 (CH) | 153.4 |
2 (CH) | 128.3 |
3 (C) | 186.8 |
4 (CH) | 123.9 |
5 (C) | 163.1 |
6 (CH) | 127.9 |
7 (CH) | 138.3 |
8 (CH) | 40.3 |
9 (CH) | 48.4 |
10 (C) | 41.5 |
11 (CH2) | 24 |
12 (CH2) | 36.1 |
13 (C) | 57.3 |
14 (CH) | 54.6 |
15 (CH2) | 24.6 |
16 (CH2) | 36.5 |
17 (CH) | 56.4 |
18 (C) | 178.6 |
19 (CH3) | 20.8 |
20 (CH) | 36.4 |
21 (CH3) | 19 |
22 (CH2) | 28.8 |
23 (CH2) | 36.5 |
24 (C) | 78.8 |
25 (C) | 147.6 |
26 (CH2) | 111.4 |
27 (CH3) | 19.9 |
24a (CH2) | 32.5 |
24b (CH3) | 7.6 |