(1R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-1-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[1,2-c]furan-13-yl acetate

(1R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-1-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[1,2-c]furan-13-yl acetate

Common Name: (1R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-1-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[1,2-c]furan-13-yl acetate

Synonyms: (1R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-1-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[1,2-c]furan-13-yl acetate

CAS Registry Number:

InChI: InChI=1S/C28H42O6/c1-15(29)33-20-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)19-13-16(32-7)21-22(28(19,20)6)24(31)34-23(21)30/h16-20,24,31H,8-14H2,1-7H3/t16-,17+,18-,19+,20-,24-,26+,27-,28-/m1/s1

InChIKey: InChIKey=AAGQILLTUBPRPF-VCZKCASYSA-N

Formula: C28H42O6

Molecular Weight: 474.630546

Exact Mass: 474.298139

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tsukamoto, S., Miura, S., van Soest, R.W., Ohta, T. J Nat Prod (2003) 66, 438-40

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) 40.1
2 (CH2) 18.7
3 (CH2) 42.5
4 (C) 33.7
5 (CH) 57.8
6 (CH2) 18.9
7 (CH2) 41.9
8 (C) 37.8
9 (CH) 58.2
10 (C) 37.3
11 (CH2) 25.2
12 (CH) 76
13 (C) 41.2
14 (CH) 50.6
15 (CH2) 33.7
16 (CH) 70
17 (C) 140.9
18 (C) 157.4
19 (CH) 94.9
20 (C) 168.4
21 (CH3) 33.8
22 (CH3) 21.8
23 (CH3) 16.4
24 (CH3) 17.8
25 (CH3) 15.7
12a (C) 171.9
12b (CH3) 21.8
16a (CH3) 56.9