(1α,3β,9β)-1,3,28-Trihydroxy-9,19-cyclolanost-25-en-24-one

(1α,3β,9β)-1,3,28-Trihydroxy-9,19-cyclolanost-25-en-24-one

Common Name: (1α,3β,9β)-1,3,28-Trihydroxy-9,19-cyclolanost-25-en-24-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O4/c1-18(2)21(32)8-7-19(3)20-11-12-28(6)23-10-9-22-26(4,17-31)24(33)15-25(34)30(22)16-29(23,30)14-13-27(20,28)5/h19-20,22-25,31,33-34H,1,7-17H2,2-6H3/t19-,20-,22+,23+,24+,25+,26+,27-,28+,29+,30-/m1/s1

InChIKey: InChIKey=WOZSKSVCEZVZCC-LHKYTSDSSA-N

Formula: C30H48O4

Molecular Weight: 472.700853

Exact Mass: 472.35526

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504

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) 72.7
2 (CH2) 38.7
3 (CH) 69.6
4 (C) 45
5 (CH) 34.5
6 (CH2) 21.2
7 (CH2) 28.3
8 (CH) 48.5
9 (C) 20.8
10 (C) 30.5
11 (CH2) 26.1
12 (CH2) 33.3
13 (C) 45.5
14 (C) 49.1
15 (CH2) 36
16 (CH2) 26.1
17 (CH) 52.6
18 (CH3) 18.4
19 (CH2) 30
20 (CH) 36.2
21 (CH3) 18.5
22 (CH2) 31.4
23 (CH2) 34.9
24 (C) 202.2
25 (C) 144.8
26 (CH2) 124.6
27 (CH3) 17.8
28 (CH2) 68
29 (CH3) 10.7
30 (CH3) 19.5