6,19-Dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.02,6.03,19.03,22.07,16.010,15]heptacosa-8,10,12-triene-5,14,20,25-tetrone

6,19-Dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.02,6.03,19.03,22.07,16.010,15]heptacosa-8,10,12-triene-5,14,20,25-tetrone

Common Name: 6,19-Dihydroxy-1,15,22,26-tetramethyl-4,21,24-trioxaheptacyclo[21.3.1.02,6.03,19.03,22.07,16.010,15]heptacosa-8,10,12-triene-5,14,20,25-tetrone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3/t13-,15+,16-,18-,20?,23-,24+,25+,26-,27+,28+/m1/s1

InChIKey: InChIKey=NSFHPMKDYVTYOY-MRCJKNTBSA-N

Formula: C28H30O9

Molecular Weight: 510.533472

Exact Mass: 510.188983

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sunayama, R., Kuroyanagi, M., Umehara, K., Ueno, A. Phytochemistry (1993) 34, 529-33

Species:

Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) 207.6
2 (CH) 123.4
3 (CH) 141.5
4 (CH) 117.5
5 (C) 152.2
6 (CH) 129.6
7 (CH) 129.5
8 (CH) 47.6
9 (CH) 33.9
10 (C) 51.2
11 (CH2) 24.9
12 (CH2) 28.2
13 (C) 79.9
14 (C) 83.3
15 (C) 174.9
16 (CH) 56.9
17 (C) 84.2
18 (C) 175.4
19 (CH3) 26.2
20 (C) 80.9
21 (CH3) 21.5
22 (CH) 75.8
23 (CH2) 28.4
24 (C) 35
25 (CH) 39.2
26 (C) 172.8
27 (CH3) 16.6
28 (CH3) 28.5