(1R,3aS,4E,6E,8S,8aR,9S,11R,12S,12aS,13S,13aS)-5-(Acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-tri yl triacetate

(1R,3aS,4E,6E,8S,8aR,9S,11R,12S,12aS,13S,13aS)-5-(Acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-tri yl triacetate

Common Name: (1R,3aS,4E,6E,8S,8aR,9S,11R,12S,12aS,13S,13aS)-5-(Acetoxymethyl)-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,8,8a,9,10,11,12,12a,13,13a-dodecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-tri yl triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O12/c1-13-25(33)39-22-10-18(12-35-14(2)29)8-9-19(36-15(3)30)26(6)20(37-16(4)31)11-21-27(7,40-21)23(26)24(28(13,22)34)38-17(5)32/h8-10,13,19-24,34H,11-12H2,1-7H3/b9-8+,18-10+/t13-,19-,20-,21+,22-,23+,24-,26-,27+,28-/m0/s1

InChIKey: InChIKey=RVTBTCFHCHSFJN-GUHHKUAKSA-N

Formula: C28H36O12

Molecular Weight: 564.579331

Exact Mass: 564.220677

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tanaka, C., Yamamoto, Y., Otsuka, M., Tanaka, J., Ichiba, T., Marriott, G., Rachmat, R., Higa, T. J Nat Prod (2004) 67, 1368-73

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) 45.4
2 (CH) 76.6
3 (CH) 137.7
4 (CH) 127.5
5 (C) 137.6
6 (CH) 125.8
7 (CH) 80.6
8 (C) 81.1
9 (CH) 70
10 (CH) 41.2
11 (C) 59.8
12 (CH) 59.3
13 (CH2) 25.9
14 (CH) 78
15 (CH3) 15.4
16 (CH2) 66.4
17 (CH) 45.1
18 (CH3) 8.1
19 (C) 175.2
20 (CH3) 25.4
2a (C) 170.6
2b (CH3) 20.9
9a (C) 170
9b (CH3) 21.6
14a (C) 170.6
14b (CH3) 21.7
16a (C) 169.8
16b (CH3) 20.9