(3aS,4S,6E,8S,10E,12S,15aS)-4,8,12-Triacetoxy-3aalpha,4,5,8,9,12,13,15abeta-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca[b]furan-2(3H)-one

(3aS,4S,6E,8S,10E,12S,15aS)-4,8,12-Triacetoxy-3aalpha,4,5,8,9,12,13,15abeta-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca[b]furan-2(3H)-one

Common Name: (3aS,4S,6E,8S,10E,12S,15aS)-4,8,12-Triacetoxy-3aalpha,4,5,8,9,12,13,15abeta-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca[b]furan-2(3H)-one

Synonyms: (3aS,4S,6E,8S,10E,12S,15aS)-4,8,12-Triacetoxy-3aalpha,4,5,8,9,12,13,15abeta-octahydro-6,10,14-trimethyl-3-methylenecyclotetradeca[b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C26H34O8/c1-14-8-21(31-18(5)27)10-15(2)12-23(33-20(7)29)25-17(4)26(30)34-24(25)13-16(3)11-22(9-14)32-19(6)28/h9-10,13,21-25H,4,8,11-12H2,1-3,5-7H3/b14-9+,15-10+,16-13+/t21-,22+,23-,24-,25-/m0/s1

InChIKey: InChIKey=AEECRLMJHMQCTF-YQIRRFBKSA-N

Formula: C26H34O8

Molecular Weight: 474.544358

Exact Mass: 474.225368

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iwashima, M., Matsumoto, Y., Takahashi, H., Iguchi, K. J Nat Prod (2000) 63, 1647-52

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) 46.2
2 (CH) 73.4
3 (CH) 124.3
4 (C) 139.7
5 (CH2) 42.3
6 (CH) 68.9
7 (CH) 127
8 (C) 137.3
9 (CH2) 44.4
10 (CH) 66.9
11 (CH) 126.7
12 (C) 138
13 (CH2) 41.9
14 (CH) 73.6
15 (C) 136.4
16 (C) 169.3
17 (CH2) 123.7
18 (CH3) 19.9
19 (CH3) 16.3
20 (CH3) 15.8
6a (C) 170
6b (CH3) 20.9
10a (C) 170.1
10b (CH3) 21.2
14a (C) 170.1
14b (CH3) 21.3