(1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl octanoa te

(1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl octanoa te

Common Name: (1S,3aS,4Z,6R,8S,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl octanoa te

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H48O12/c1-8-9-10-11-12-13-25(36)43-21-17-23(41-19(3)33)29(5)15-14-22(35)30(6,38)26(29)27(42-20(4)34)32(40)24(16-18(21)2)44-28(37)31(32,7)39/h14-16,21-24,26-27,35,38-40H,8-13,17H2,1-7H3/b18-16-/t21-,22-,23+,24+,26-,27+,29-,30-,31-,32+/m1/s1

InChIKey: InChIKey=WOZKRYOUCHMDCZ-RFRQQORASA-N

Formula: C32H48O12

Molecular Weight: 624.717564

Exact Mass: 624.314577

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iwagawa, T., Babazono, K., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. Heterocycles (2005) 65, 607-17

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) 46.2
2 (CH) 78.1
3 (CH2) 37.5
4 (CH) 72.1
5 (C) 142.4
6 (CH) 124.6
7 (CH) 78.1
8 (C) 78.9
9 (CH) 66.8
10 (CH) 39.7
11 (C) 75.9
12 (CH) 70.9
13 (CH) 123.4
14 (CH) 139.4
15 (CH3) 15
16 (CH3) 26.2
17 (C) 80.4
18 (CH3) 16.8
19 (C) 175.8
20 (CH3) 23.2
2a (C) 170.2
2b (CH3) 21.1
4a (C) 173.2
4b (CH2) 34.4
4c (CH2) 24.9
4d (CH2) 29
4e (CH2) 28.9
4f (CH2) 31.6
4g (CH2) 22.6
4h (CH3) 14
9a (C) 170.6
9b (CH3) 22.2