(S)-3-Hydroxy-3-methylglutaric acid hydrogen 1-[[(1S,6R)-6beta-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]methyl] ester

(S)-3-Hydroxy-3-methylglutaric acid hydrogen 1-[[(1S,6R)-6beta-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]methyl] ester

Common Name: (S)-3-Hydroxy-3-methylglutaric acid hydrogen 1-[[(1S,6R)-6beta-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]methyl] ester

Synonyms: (S)-3-Hydroxy-3-methylglutaric acid hydrogen 1-[[(1S,6R)-6beta-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]methyl] ester

CAS Registry Number:

InChI: InChI=1S/C28H38O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,24,34H,1,6-10,12-15H2,2-5H3,(H,30,31)/t18-,19-,24+,26-,27+,28-/m0/s1

InChIKey: InChIKey=TZHODXJMZGQSQM-PWMRZZKKSA-N

Formula: C28H38O8

Molecular Weight: 502.597593

Exact Mass: 502.256668

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fujimoto, H., Nakamura, E., Kim, Y.P., Okuyama, E., Ishibashi, M., Sassa, T. J Nat Prod (2001) 64, 1234-7

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) 38.85
2 (CH2) 19.27
3 (CH2) 41.94
4 (C) 33.55
5 (CH) 55.44
6 (CH2) 24.28
7 (CH2) 37.93
8 (C) 148.66
9 (CH) 51.28
10 (C) 39.7
11 (CH2) 20.01
12 (CH2) 106.85
13 (CH3) 33.49
14 (CH3) 21.6
15 (CH3) 14.42
1' (C) 62.56
2' (C) 191.67
3' (CH) 132.87
4' (C) 142.11
5' (C) 192.12
6' (CH) 58.8
4'a (CH2) 59.62
4'b (C) 170.68
4'c (CH2) 44.49
4'd (C) 69.81
4'e (CH2) 44.48
4'f (C) 170.68
4'da (CH3) 27.26