Norselic acid A

Norselic acid A

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)

Carbon NMR Peaks

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