Secaubryolide

Secaubryolide

Common Name: Secaubryolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1

InChIKey: InChIKey=RGFKYIOSMXLVPZ-PDRQEGEBSA-N

Formula: C31H44O5

Molecular Weight: 496.679231

Exact Mass: 496.318875

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Grougnet, R., Magiatis, P., Mitaku, S., Loizou, S., Moutsatsou, P., Terzis, A., Cabalion, P., Tillequin, F., Michel, S. J Nat Prod (2006) 69, 1711-4

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 30.9
2 (CH2) 31.2
3 (C) 173.4
4 (C) 139.1
5 (CH) 39
6 (CH) 74.4
7 (CH2) 27.2
8 (CH) 38.3
9 (C) 25
10 (C) 28.2
11 (CH2) 26.5
12 (CH2) 32.8
13 (C) 45.8
14 (C) 48.7
15 (CH2) 34.7
16 (CH2) 27.9
17 (CH) 51.5
18 (CH3) 15.9
19 (CH2) 23
20 (CH) 33.3
21 (CH3) 19.5
22 (CH2) 51.6
23 (C) 201.3
24 (CH) 124.2
25 (C) 154.9
26 (CH3) 27.6
27 (CH3) 20.6
28 (CH2) 123.1
29 (C) 170.7
30 (CH3) 20.1
3a (CH3) 51.8