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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-13-6-7-20-16(4)22(25)27-21(20)12-15(3)11-19(26-17(5)23)10-14(2)9-18(24)8-13/h8,10,12,18-21,24H,4,6-7,9,11H2,1-3,5H3/b13-8+,14-10+,15-12+/t18-,19-,20-,21+/m1/s1

InChIKey: InChIKey=VZFHEYSZOLTWDN-SJEBAXGUSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

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) 42.8
2 (CH) 79
3 (CH) 123.9
4 (C) 139.3
5 (CH2) 42.3
6 (CH) 69
7 (CH) 126.3
8 (C) 138.3
9 (CH2) 48.2
10 (CH) 64.9
11 (CH) 129.2
12 (C) 138.9
13 (CH2) 36
14 (CH2) 32.5
15 (C) 140
16 (C) 169.9
17 (CH2) 122
18 (CH3) 19.8
19 (CH3) 16.3
20 (CH3) 15.2
6a (C) 170
6b (CH3) 21.3