9,19-Cyclolanostane-3,6,16,24,25-pentol

9,19-Cyclolanostane-3,6,16,24,25-pentol

Common Name: 9,19-Cyclolanostane-3,6,16,24,25-pentol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22-,23+,24+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=NNYKOYIGBZQYAI-CQOHEMLKSA-N

Formula: C30H52O5

Molecular Weight: 492.732021

Exact Mass: 492.381475

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 32.81
2 (CH2) 31.45
3 (CH) 78.37
4 (C) 42.44
5 (CH) 54.01
6 (CH) 68.31
7 (CH2) 38.62
8 (CH) 47.24
9 (C) 21.31
10 (C) 30.37
11 (CH2) 26.4
12 (CH2) 33.23
13 (C) 45.74
14 (C) 46.98
15 (CH2) 48.81
16 (CH) 71.78
17 (CH) 57.27
18 (CH3) 18.81
19 (CH2) 29.36
20 (CH) 31.64
21 (CH3) 19.09
22 (CH2) 29.62
23 (CH2) 34.84
24 (CH) 80.59
25 (C) 72.69
26 (CH3) 25.9
27 (CH3) 26.2
28 (CH3) 29.37
29 (CH3) 20.3
30 (CH3) 16.13