(1R,3aS,4Z,8S,8aS,9S,12aS,13S,13aS)-13a-Hydroxy-1,5,8a-trimethyl-12-methylene-2-oxo-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate

(1R,3aS,4Z,8S,8aS,9S,12aS,13S,13aS)-13a-Hydroxy-1,5,8a-trimethyl-12-methylene-2-oxo-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate

Common Name: (1R,3aS,4Z,8S,8aS,9S,12aS,13S,13aS)-13a-Hydroxy-1,5,8a-trimethyl-12-methylene-2-oxo-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/c1-13-8-10-19(32-16(4)27)25(7)20(33-17(5)28)11-9-14(2)22(25)23(34-18(6)29)26(31)15(3)24(30)35-21(26)12-13/h12,15,19-23,31H,2,8-11H2,1,3-7H3/b13-12-/t15-,19-,20-,21-,22+,23-,25-,26-/m0/s1

InChIKey: InChIKey=BTUXYSHCOAGREH-TWYGUGFWSA-N

Formula: C26H36O9

Molecular Weight: 492.559645

Exact Mass: 492.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Subrahmanyam, C., Kulatheeswaran, R., Ward, R.S. J Nat Prod (1998) 61, 1120-2

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) 46.8
2 (CH) 78
3 (CH2) 29.1
4 (CH2) 26.9
5 (C) 145.2
6 (CH) 120.3
7 (CH) 74.3
8 (C) 82.9
9 (CH) 71.3
10 (CH) 41.8
11 (C) 150.9
12 (CH2) 26.4
13 (CH2) 31.1
14 (CH) 74.4
15 (CH3) 15.6
16 (CH3) 26.8
17 (CH) 42.5
18 (CH3) 6.5
19 (C) 176.1
20 (CH2) 113.1
2a (C) 170.5
2b (CH3) 21.7
9a (C) 170.4
9b (CH3) 21.2
14a (C) 169.5
14b (CH3) 21.1