(3R,4aR,6S,6aS,10aS,10bR)-3,4a,7,7,10a-Pentamethyl-3-[(1E)-3-oxo-1-penten-1-yl]dodecahydro-1H-benzo[f]chromen-6-yl acetate

(3R,4aR,6S,6aS,10aS,10bR)-3,4a,7,7,10a-Pentamethyl-3-[(1E)-3-oxo-1-penten-1-yl]dodecahydro-1H-benzo[f]chromen-6-yl acetate

Common Name: (3R,4aR,6S,6aS,10aS,10bR)-3,4a,7,7,10a-Pentamethyl-3-[(1E)-3-oxo-1-penten-1-yl]dodecahydro-1H-benzo[f]chromen-6-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O4/c1-8-18(27)10-14-23(5)15-11-20-24(6)13-9-12-22(3,4)21(24)19(28-17(2)26)16-25(20,7)29-23/h10,14,19-21H,8-9,11-13,15-16H2,1-7H3/b14-10+/t19-,20+,21-,23-,24+,25+/m0/s1

InChIKey: InChIKey=SGPKOBICDGPHHL-YLCOYWKMSA-N

Formula: C25H40O4

Molecular Weight: 404.583647

Exact Mass: 404.29266

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Topcu, G., Ulubelen, A., Tam, T.C.M., Che, C.T. J Nat Prod (1996) 59, 113-6

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) 38.8
2 (CH2) 18.11
3 (CH2) 43.3
4 (C) 33.28
5 (CH) 58.85
6 (CH) 70.72
7 (CH2) 49.69
8 (C) 74.47
9 (CH) 54.88
10 (C) 37.8
11 (CH2) 15.38
12 (CH2) 34.85
13 (C) 73.07
14 (CH) 154.17
15 (CH) 125.38
16 (C) 201.68
17 (CH2) 33.9
18 (CH3) 8.2
21 (CH3) 28.78
22 (CH3) 26.68
23 (CH3) 36
24 (CH3) 21.98
25 (CH3) 16.5
6a (C) 170.13
6b (CH3) 21.89