(2aS,5R,5aR,6R,6aR,7S,8S,9aR,10aS,10bR)-5,6-Diacetoxy-5a-(acetoxymethyl)-9a-hydroxy-2,2,8,10a-tetramethyl-10-oxo-2a,5,5a,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-2H-1-oxabenzo[cd]cyclopenta[g]azulen-7-yl benzoate

(2aS,5R,5aR,6R,6aR,7S,8S,9aR,10aS,10bR)-5,6-Diacetoxy-5a-(acetoxymethyl)-9a-hydroxy-2,2,8,10a-tetramethyl-10-oxo-2a,5,5a,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-2H-1-oxabenzo[cd]cyclopenta[g]azulen-7-yl benzoate

Common Name: (2aS,5R,5aR,6R,6aR,7S,8S,9aR,10aS,10bR)-5,6-Diacetoxy-5a-(acetoxymethyl)-9a-hydroxy-2,2,8,10a-tetramethyl-10-oxo-2a,5,5a,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-2H-1-oxabenzo[cd]cyclopenta[g]azulen-7-yl benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)43-28(37)21-11-9-8-10-12-21)27(42-20(4)36)32(16-40-18(2)34)23(41-19(3)35)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3/t17-,22-,23+,24+,25-,26-,27+,31-,32+,33+/m0/s1

InChIKey: InChIKey=WFNDYVPJVITXJR-JVQHIIJCSA-N

Formula: C33H40O11

Molecular Weight: 612.665369

Exact Mass: 612.257062

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmad, V.U., Hussain, J., Hussain, H., Jassbi, A.R., Ullah, F., Lodhi, M.A., Yasin, A., Choudhary, M.I. Chem Pharm Bull (2003) 51, 719-23

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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) 46.1
2 (CH) 35.7
3 (CH) 79.1
4 (CH) 49.6
5 (CH) 68.9
6 (C) 47.1
7 (CH) 68.1
8 (CH) 126.3
9 (CH) 128.7
10 (C) 79.1
11 (CH) 47.4
12 (CH) 41.7
13 (C) 83.6
14 (C) 205.4
15 (C) 85.3
16 (CH3) 14.3
17 (CH2) 61.2
18 (CH3) 29.6
19 (CH3) 24.6
20 (CH3) 24.8
3a (C) 165
3b (C) 129.4
3c (CH) 129.5
3d (CH) 128.3
3e (CH) 133.2
3f (CH) 128.3
3g (CH) 129.5
5a (C) 170.1
5b (CH3) 21.2
7a (C) 170
7b (CH3) 20.7
17a (C) 169.7
17b (CH3) 20.5