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: CDCl3

MHz:

Calibration:

NMR references: 13C - Koul, S., Razdan, T.K., Andotra, C.S., Kalla, A.K., Taneja, S.C., Dhar, K.L. Phytochemistry (2000) 53, 305-9

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) 25.2
3 (CH) 76.3
4 (C) 38.4
5 (CH) 55.2
6 (CH2) 18.1
7 (CH2) 34.2
8 (C) 41.1
9 (CH) 50.1
10 (C) 36.3
11 (CH2) 22.6
12 (CH2) 28.7
13 (CH) 37.5
14 (C) 43.6
15 (CH2) 27.4
16 (CH2) 35.5
17 (C) 42.9
18 (CH) 48.2
19 (CH) 47.9
20 (C) 207.3
21 (CH2) 31
22 (CH2) 40.1
23 (CH3) 28.5
24 (CH3) 15.4
25 (CH3) 16.2
26 (CH3) 15.9
27 (CH3) 14.5
28 (CH3) 18.4
29 (CH3) 23.5