(4S)-3,4abeta,5beta-Trimethyl-4beta,8abeta,9abeta-trihydroxy-6beta-acetoxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

(4S)-3,4abeta,5beta-Trimethyl-4beta,8abeta,9abeta-trihydroxy-6beta-acetoxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Common Name: (4S)-3,4abeta,5beta-Trimethyl-4beta,8abeta,9abeta-trihydroxy-6beta-acetoxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Synonyms: (4S)-3,4abeta,5beta-Trimethyl-4beta,8abeta,9abeta-trihydroxy-6beta-acetoxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C17H24O7/c1-8-12-13(19)15(4)9(2)11(23-10(3)18)5-6-16(15,21)7-17(12,22)24-14(8)20/h9,11,13,19,21-22H,5-7H2,1-4H3/t9-,11-,13+,15-,16-,17-/m0/s1

InChIKey: InChIKey=PKTIIRCZPABZBR-RDJQVBLBSA-N

Formula: C17H24O7

Molecular Weight: 340.368923

Exact Mass: 340.152203

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Wang, W.S., Dai, X., Hong, L.Y., Lu, P., Feng, J.C., Jiao, Y.G. Helv Chim Acta (2008) 91, 1118-23

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 27.47
2 (CH2) 31
3 (CH) 72.4
4 (CH) 36.47
5 (C) 46.97
6 (CH) 70.76
7 (C) 154.39
8 (C) 103.23
9 (CH2) 43.55
10 (C) 76.77
11 (C) 126.4
12 (C) 170.92
13 (CH3) 8.74
14 (CH3) 12.57
15 (CH3) 12.25
3a (C) 170.92
3b (CH3) 21.28