1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

Common Name: 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

Synonyms: 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

CAS Registry Number:

InChI: InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1

InChIKey: InChIKey=RCXANGLYPFOYKX-XJJQXQETSA-N

Formula: C29H48O2

Molecular Weight: 428.691307

Exact Mass: 428.365431

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Ahmad, V.U., Mohammad, F.V. J Nat Prod (1986) 49, 524-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) 39.2
2 (CH2) 27.8
3 (CH) 78.1
4 (C) 39.5
5 (CH) 55.8
6 (CH2) 18.8
7 (CH2) 34.6
8 (C) 41
9 (CH) 50.7
10 (C) 37.3
11 (CH2) 21.1
12 (CH2) 27.5
13 (CH) 37.5
14 (C) 42.4
15 (CH2) 27.7
16 (CH2) 35.3
17 (C) 43.2
18 (CH) 49.6
19 (CH) 52.5
20 (C) 211.3
21 (CH2) 28.3
22 (CH2) 40.1
23 (CH3) 29.2
24 (CH3) 16.1
25 (CH3) 16.3
26 (CH3) 16.4
27 (CH3) 14.6
28 (CH3) 18.1
29 (CH3) 28.6