(1R,3S,4S,5S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-5,9-diol

(1R,3S,4S,5S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-5,9-diol

Common Name: (1R,3S,4S,5S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-5,9-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O5/c1-16-12-18-23(25(4,5)33)35-30(34-18)14-27(7)22-17(31)13-19-24(2,3)20(32)8-9-28(19)15-29(22,28)11-10-26(27,6)21(16)30/h16-23,31-33H,8-15H2,1-7H3/t16-,17+,18-,19+,20+,21-,22+,23+,26-,27+,28-,29+,30-/m1/s1

InChIKey: InChIKey=UIYLAWWWFYWOAN-NSAKQVMCSA-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) 32.34
2 (CH2) 31.22
3 (CH) 77.94
4 (C) 40.93
5 (CH) 46.57
6 (CH2) 32.18
7 (CH) 70.35
8 (CH) 55.46
9 (C) 19.78
10 (C) 27.64
11 (CH2) 26.96
12 (CH2) 33.24
13 (C) 44.34
14 (C) 46.97
15 (CH2) 48.93
16 (C) 115.27
17 (CH) 60.7
18 (CH3) 19.01
19 (CH2) 30
20 (CH) 23.89
21 (CH3) 20.17
22 (CH2) 38.52
23 (CH) 71.87
24 (CH) 90.57
25 (C) 71.16
26 (CH3) 27.8
27 (CH3) 24.83
28 (CH3) 26.25
29 (CH3) 19.1
30 (CH3) 14.8