(1S,4bbeta,10aalpha)-2beta,4aalpha,6,9aalpha-Tetramethylhexadecahydrocyclopenta[b]fluorene-1,3abeta,4alpha,6beta,8alpha,8abeta,10alpha-heptol 4,8,8a,10-tetraacetate 1-benzoate

(1S,4bbeta,10aalpha)-2beta,4aalpha,6,9aalpha-Tetramethylhexadecahydrocyclopenta[b]fluorene-1,3abeta,4alpha,6beta,8alpha,8abeta,10alpha-heptol 4,8,8a,10-tetraacetate 1-benzoate

Common Name: (1S,4bbeta,10aalpha)-2beta,4aalpha,6,9aalpha-Tetramethylhexadecahydrocyclopenta[b]fluorene-1,3abeta,4alpha,6beta,8alpha,8abeta,10alpha-heptol 4,8,8a,10-tetraacetate 1-benzoate

Synonyms: (1S,4bbeta,10aalpha)-2beta,4aalpha,6,9aalpha-Tetramethylhexadecahydrocyclopenta[b]fluorene-1,3abeta,4alpha,6beta,8alpha,8abeta,10alpha-heptol 4,8,8a,10-tetraacetate 1-benzoate

CAS Registry Number:

InChI: InChI=1S/C35H46O12/c1-18-14-34(42)26(27(18)46-29(40)23-12-10-9-11-13-23)28(44-20(3)37)32(7)17-35(47-22(5)39)24(33(32,8)30(34)45-21(4)38)15-31(6,41)16-25(35)43-19(2)36/h9-13,18,24-28,30,41-42H,14-17H2,1-8H3/t18-,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-/m0/s1

InChIKey: InChIKey=YOOFGOIZRALNAL-ZMHDZMPESA-N

Formula: C35H46O12

Molecular Weight: 658.73389

Exact Mass: 658.298927

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hohmann, J., G, G.n., Vasas, A., Kalman, A., Argay, G. J Nat Prod (1999) 62, 107-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pepluanes; 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) 44.7
2 (CH) 35.9
3 (CH) 76.4
4 (CH) 48.3
5 (CH) 69.7
6 (C) 49
7 (CH2) 39.8
8 (C) 88.6
9 (CH) 68.3
10 (C) 41.6
11 (CH2) 68
12 (CH) 33.9
13 (C) 47
14 (CH) 52
15 (C) 73.3
16 (CH3) 84.2
17 (CH3) 16.6
18 (CH2) 16.7
19 (CH3) 31.5
20 (CH3) 16.3
3a (C) 165.8
3b (C) 130
3c (CH) 129.3
3d (CH) 128.5
3e (CH) 133.2
3f (CH) 128.5
3g (CH) 129.3
5a (C) 170.4
5b (CH3) 22
8a (C) 170.2
8b (CH3) 20.9
9a (C) 169.3
9b (CH3) 21.4
14a (C) 170
14b (CH3) 20.9