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-MQGITODGSA-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) 32.78
2 (CH2) 31.34
3 (CH) 78.34
4 (C) 42.33
5 (CH) 53.96
6 (CH) 68.29
7 (CH2) 38.45
8 (CH) 47.17
9 (C) 21.35
10 (C) 30.37
11 (CH2) 26.43
12 (CH2) 33.33
13 (C) 45.76
14 (C) 46.85
15 (CH2) 48.41
16 (CH) 72.02
17 (CH) 57.39
18 (CH3) 18.24
19 (CH2) 29.7
20 (CH) 28.78
21 (CH3) 18.97
22 (CH2) 33.07
23 (CH2) 27.99
24 (CH) 77.22
25 (C) 72.49
26 (CH3) 25.43
27 (CH3) 26.46
28 (CH3) 29.17
29 (CH3) 20.18
30 (CH3) 15.98