(1aS,2S,4E,10aS,11E,14aS)-2-Hydroxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one

(1aS,2S,4E,10aS,11E,14aS)-2-Hydroxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one

Common Name: (1aS,2S,4E,10aS,11E,14aS)-2-Hydroxy-1a,5,8,12-tetramethyl-2,3,6,7,10a,13,14,14a-octahydrooxireno[9,10]cyclotetradeca[1,2-b]furan-9(1aH)-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-12-5-8-15-14(3)19(22)23-16(15)11-13(2)7-10-18-20(4,24-18)17(21)9-6-12/h6,11,16-18,21H,5,7-10H2,1-4H3/b12-6+,13-11+/t16-,17-,18-,20-/m0/s1

InChIKey: InChIKey=PLXYTNVUDOBBTD-RMDRXMPUSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sawant, S.S., Youssef, D.T., Reiland, J., Ferniz, M., Marchetti, D., El Sayed, K.A. J Nat Prod (2006) 69, 1010-3

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 (C) 162.5
2 (CH) 79.7
3 (CH) 119.3
4 (C) 145.3
5 (CH2) 34.6
6 (CH2) 26.6
7 (CH) 61.2
8 (C) 63.4
9 (CH) 78.6
10 (CH2) 31.5
11 (CH) 119.2
12 (C) 137.6
13 (CH2) 37.6
14 (CH2) 28.9
15 (C) 123.2
16 (C) 174.9
17 (CH3) 9.1
18 (CH3) 18.3
19 (CH3) 9.7
20 (CH3) 16.9