(3S,4aR,6R,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,6-picenediol

(3S,4aR,6R,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,6-picenediol

Common Name: (3S,4aR,6R,6aR,8aR,12aR,12bS,14aR,14bS)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3,6-picenediol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-25(2)15-16-27(5)12-9-19-29(7,22(27)18-25)13-10-20-28(6)14-11-23(31)26(3,4)21(28)17-24(32)30(19,20)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1

InChIKey: InChIKey=UIKAKYHZRGLONT-ZOUCRMHASA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Parsons C., Gray A. I., Waterman P. G., Hartley T. G. J Nat Prod (1993) 56, 46

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) 37.7
2 (CH2) 27.4
3 (CH) 79.1
4 (C) 38.5
5 (CH) 46.5
6 (CH2) 23.9
7 (CH) 71.6
8 (C) 45.7
9 (CH) 42.1
10 (C) 38.6
11 (CH2) 17.1
12 (CH2) 34.1
13 (C) 37.5
14 (C) 155.2
15 (CH) 118.7
16 (CH2) 36.9
17 (C) 36
18 (CH) 49
19 (CH2) 37.2
20 (C) 29.3
21 (CH2) 33.2
22 (CH2) 35.2
23 (CH3) 27.9
24 (CH3) 15.8
25 (CH3) 15.6
26 (CH3) 26.7
27 (CH3) 21.1
28 (CH3) 29.6
29 (CH3) 33.1
30 (CH3) 29.8