(3β,9β,16β,24S)-3,16,24,25-Tetrahydroxy-9,19-cyclolanostan-6-one

(3β,9β,16β,24S)-3,16,24,25-Tetrahydroxy-9,19-cyclolanostan-6-one

Common Name: (3β,9β,16β,24S)-3,16,24,25-Tetrahydroxy-9,19-cyclolanostan-6-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O5/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/h17-20,22-24,31-32,34-35H,8-16H2,1-7H3/t17-,18+,19+,20+,22-,23+,24+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=INKQVUHOCANUCA-GBAYEJARSA-N

Formula: C30H50O5

Molecular Weight: 490.716139

Exact Mass: 490.365825

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) 31.91
2 (CH2) 35.88
3 (C) 216.77
4 (C) 50.57
5 (CH) 53.63
6 (CH) 69.21
7 (CH2) 38.3
8 (CH) 48.29
9 (C) 21.5
10 (C) 28.28
11 (CH2) 26.23
12 (CH2) 33.03
13 (C) 45.67
14 (C) 46.83
15 (CH2) 49.18
16 (CH) 71.67
17 (CH) 57.35
18 (CH3) 18.72
19 (CH2) 30.73
20 (CH) 31.56
21 (CH3) 19.7
22 (CH2) 29.35
23 (CH2) 34.79
24 (CH) 80.55
25 (C) 72.68
26 (CH3) 25.94
27 (CH3) 26.16
28 (CH3) 28.6
29 (CH3) 20.43
30 (CH3) 20.55