(3β,9β,16β,20R,24S)-3,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-6-one

(3β,9β,16β,20R,24S)-3,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-6-one

Common Name: (3β,9β,16β,20R,24S)-3,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-6-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h18-23,32-34H,8-16H2,1-7H3/t18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1

InChIKey: InChIKey=QFGJOOWAKWQCSQ-HDZCUXEPSA-N

Formula: C30H48O5

Molecular Weight: 488.700258

Exact Mass: 488.350175

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) 30.8
2 (CH2) 30.3
3 (CH) 77.7
4 (C) 41.1
5 (CH) 58.1
6 (C) 211.5
7 (CH2) 41.7
8 (CH) 43.5
9 (C) 21.7
10 (C) 31
11 (CH2) 26.7
12 (CH2) 33.4
13 (C) 45.6
14 (C) 47.3
15 (CH2) 44.6
16 (CH) 73
17 (CH) 57.9
18 (CH3) 18.7
19 (CH2) 22.9
20 (C) 87.2
21 (CH3) 28.6
22 (CH2) 35.2
23 (CH2) 26.5
24 (CH) 81.9
25 (C) 71.4
26 (CH3) 27.1
27 (CH3) 28.1
28 (CH3) 27.3
29 (CH3) 19.2
30 (CH3) 14.7