(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-Octamethylicosahydrochryseno[2,1-c]oxepin-3(2H)-one

(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-Octamethylicosahydrochryseno[2,1-c]oxepin-3(2H)-one

Common Name: (5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-Octamethylicosahydrochryseno[2,1-c]oxepin-3(2H)-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-20-27(5)12-11-22-28(6,21(27)9-10-24(31)32-20)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1

InChIKey: InChIKey=UYYLYVBSUPHXSX-PFTFKKIYSA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Katakaga, J., Tetsumi, T., Hasegawa, H., Iida, T., Katai, M, Natural Medicines (2000) 54, 18-21

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) 18.6
2 (CH2) 40.8
3 (C) 175.6
4 (CH) 84.9
5 (C) 38.5
6 (CH2) 34.4
7 (CH2) 18.1
8 (CH) 52.8
9 (C) 38.2
10 (CH) 64
11 (CH2) 35.4
12 (CH2) 30.6
13 (C) 38.4
14 (C) 39.4
15 (CH2) 32.4
16 (CH2) 36
17 (C) 31.8
18 (CH) 42.8
19 (CH2) 35.3
20 (C) 28.2
21 (CH2) 32.8
22 (CH2) 39.3
23 (CH3) 13.5
24 (CH3) 16.2
25 (CH3) 17.9
26 (CH3) 20.2
27 (CH3) 18.6
28 (CH3) 32.1
29 (CH3) 35
30 (CH3) 31.8