(1R,4E,9E,12aS)-1alpha-(1-Methyl-1-acetoxyethyl)-12alpha-acetoxy-3abeta,6alpha,10-trimethyl-1,2,3,3a,6,11,12,12aalpha-octahydrocyclopentacycloundecen-8(7H)-one

(1R,4E,9E,12aS)-1alpha-(1-Methyl-1-acetoxyethyl)-12alpha-acetoxy-3abeta,6alpha,10-trimethyl-1,2,3,3a,6,11,12,12aalpha-octahydrocyclopentacycloundecen-8(7H)-one

Common Name: (1R,4E,9E,12aS)-1alpha-(1-Methyl-1-acetoxyethyl)-12alpha-acetoxy-3abeta,6alpha,10-trimethyl-1,2,3,3a,6,11,12,12aalpha-octahydrocyclopentacycloundecen-8(7H)-one

Synonyms: (1R,4E,9E,12aS)-1alpha-(1-Methyl-1-acetoxyethyl)-12alpha-acetoxy-3abeta,6alpha,10-trimethyl-1,2,3,3a,6,11,12,12aalpha-octahydrocyclopentacycloundecen-8(7H)-one

CAS Registry Number:

InChI: InChI=1S/C24H36O5/c1-15-8-10-24(7)11-9-20(23(5,6)29-18(4)26)22(24)21(28-17(3)25)14-16(2)13-19(27)12-15/h8,10,13,15,20-22H,9,11-12,14H2,1-7H3/b10-8+,16-13+/t15-,20+,21-,22+,24-/m0/s1

InChIKey: InChIKey=OILXFXJGVWFWDN-PDSQJYMMSA-N

Formula: C24H36O5

Molecular Weight: 404.540553

Exact Mass: 404.256274

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lu, Q., Faulkner, D.J. J Nat Prod (1998) 61, 1096-100

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) 47.8
2 (CH) 138.2
3 (CH) 132.1
4 (CH) 34.1
5 (CH2) 51.2
6 (C) 201.5
7 (CH) 131.3
8 (C) 146.3
9 (CH2) 43.9
10 (CH) 72
11 (CH) 53.9
12 (CH) 44.9
13 (CH2) 26.2
14 (CH2) 39.1
15 (CH3) 17.5
16 (CH3) 18.4
17 (CH3) 21.5
18 (C) 84.7
19 (CH3) 26.7
20 (CH3) 23.3
10a (C) 170.2
10b (CH3) 23
18a (C) 170
18b (CH3) 21.1