(1S,6R)-6beta-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione

(1S,6R)-6beta-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione

Common Name: (1S,6R)-6beta-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione

Synonyms: (1S,6R)-6beta-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene]-1beta-ylmethyl]-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,19,23H,1,5-9,11-12H2,2-4H3/t15-,16-,19+,21+,22-/m0/s1

InChIKey: InChIKey=IEINAOONOAUQPK-XKRAJOFMSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

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) 38.89
2 (CH2) 19.32
3 (CH2) 41.99
4 (C) 33.6
5 (CH) 55.5
6 (CH2) 24.35
7 (CH2) 38.02
8 (C) 148.74
9 (CH) 51.41
10 (C) 39.76
11 (CH2) 20.24
12 (CH2) 106.87
13 (CH3) 33.52
14 (CH3) 21.64
15 (CH3) 14.46
1' (C) 59.06
2' (C) 192.02
3' (CH) 132.06
4' (C) 146.84
5' (C) 193.55
6' (CH) 62.5
4'a (CH2) 59.17