(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/h17,19-24,32-35H,8-16H2,1-7H3/t17-,19+,20+,21+,22+,23+,24+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=LXFFXXGJGVOPOS-BJQQOKIMSA-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) 30.7
2 (CH2) 30.4
3 (CH) 77.6
4 (C) 41.4
5 (CH) 57.9
6 (C) 211.8
7 (CH2) 41.6
8 (CH) 43
9 (C) 21.8
10 (C) 30.4
11 (CH2) 26.7
12 (CH2) 33.2
13 (C) 45.8
14 (C) 47.8
15 (CH2) 45.9
16 (CH) 71.5
17 (CH) 56.6
18 (CH3) 18.5
19 (CH2) 21.9
20 (CH) 28.8
21 (CH3) 15.7
22 (CH2) 32.9
23 (CH2) 28
24 (CH) 77.2
25 (C) 72.6
26 (CH3) 25.7
27 (CH3) 26.5
28 (CH3) 27.5
29 (CH3) 19.1
30 (CH3) 14.9