3-{(2S,4bR,6aR,10bS,12aR)-2-[(1R)-1-Hydroxyethyl]-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydro-1-chrysenyl}propanoic acid

3-{(2S,4bR,6aR,10bS,12aR)-2-[(1R)-1-Hydroxyethyl]-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydro-1-chrysenyl}propanoic acid

Common Name: 3-{(2S,4bR,6aR,10bS,12aR)-2-[(1R)-1-Hydroxyethyl]-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydro-1-chrysenyl}propanoic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H52O3/c1-20(31)27(5)12-11-22-28(6,21(27)9-10-24(32)33)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-23,31H,9-19H2,1-8H3,(H,32,33)/t20?,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1

InChIKey: InChIKey=JJIXOGJDVRRLMY-SEQLYGMSSA-N

Formula: C30H52O3

Molecular Weight: 460.733211

Exact Mass: 460.391646

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Katakaga, J., Tetsumi, T., Hasegawa, H., Iida, T., Katai, M, Natural Medicines (2000) 54, 18-21

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) 21.2
2 (CH2) 39.3
3 (C) 175.7
4 (CH) 76.1
5 (C) 41.9
6 (CH2) 35
7 (CH2) 18.8
8 (CH) 52.7
9 (C) 35.7
10 (CH) 58.1
11 (CH2) 35.3
12 (CH2) 30.2
13 (C) 38.3
14 (C) 39.5
15 (CH2) 32.2
16 (CH2) 36
17 (C) 30
18 (CH) 43.8
19 (CH2) 35.2
20 (C) 28.2
21 (CH2) 32.8
22 (CH2) 39.3
23 (CH3) 16.3
24 (CH3) 18.9
25 (CH3) 17.9
26 (CH3) 20.2
27 (CH3) 18.8
28 (CH3) 32.1
29 (CH3) 35
30 (CH3) 31.8