(1α,3β,9β,12β,16β,24E)-1,12,16,26-Tetrahydroxy-9,19-cyclolanost-24-en-3-yl acetate

(1α,3β,9β,12β,16β,24E)-1,12,16,26-Tetrahydroxy-9,19-cyclolanost-24-en-3-yl acetate

Common Name: (1α,3β,9β,12β,16β,24E)-1,12,16,26-Tetrahydroxy-9,19-cyclolanost-24-en-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O6/c1-18(16-33)9-8-10-19(2)27-21(35)14-29(6)23-12-11-22-28(4,5)26(38-20(3)34)13-24(36)32(22)17-31(23,32)15-25(37)30(27,29)7/h9,19,21-27,33,35-37H,8,10-17H2,1-7H3/b18-9+/t19-,21+,22+,23+,24+,25-,26+,27+,29+,30-,31+,32-/m1/s1

InChIKey: InChIKey=JRJHOAXEWUZVRM-QYQDNTIKSA-N

Formula: C32H52O6

Molecular Weight: 532.752897

Exact Mass: 532.376389

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 (CH) 72.5
2 (CH2) 33.9
3 (CH) 76.5
4 (C) 39.3
5 (CH) 39.4
6 (CH2) 20.28
7 (CH2) 25
8 (CH) 46.4
9 (C) 20.4
10 (C) 29.3
11 (CH2) 39.1
12 (CH) 72.47
13 (C) 50.5
14 (C) 47.7
15 (CH2) 48.2
16 (CH) 72.3
17 (CH) 57.2
18 (CH3) 12.3
19 (CH2) 29
20 (CH) 29.4
21 (CH3) 18.7
22 (CH2) 36.5
23 (CH2) 25.2
24 (CH) 126.1
25 (C) 135.1
26 (CH2) 68.5
27 (CH3) 13.5
28 (CH3) 25.1
29 (CH3) 20.3
30 (CH3) 14.1
3a (C) 170.6
3b (CH3) 21