Rubianol-c

Rubianol-c

Common Name: Rubianol-c

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1

InChIKey: InChIKey=QIFUZQYPSMCPOR-CRBXCGNKSA-N

Formula: C32H52O5

Molecular Weight: 516.753493

Exact Mass: 516.381475

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Morikawa, T., Tao, J., Ando, S., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 638-45

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Arborinanes; 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) 37
2 (CH2) 28.7
3 (CH) 78
4 (C) 39.5
5 (CH) 49
6 (CH2) 33.8
7 (CH) 72.2
8 (CH) 49.3
9 (C) 147.8
10 (C) 39.9
11 (CH) 117.1
12 (CH2) 37.3
13 (C) 38.2
14 (C) 40
15 (CH2) 32.4
16 (CH2) 32.6
17 (C) 47.3
18 (CH) 59.6
19 (CH) 69.9
20 (CH2) 42.6
21 (CH) 57.5
22 (CH) 31.1
23 (CH3) 28.7
24 (CH3) 16.4
25 (CH3) 22.1
26 (CH3) 17.2
27 (CH3) 16.6
28 (CH2) 64.8
29 (CH3) 22.9
30 (CH3) 23.5
28a (C) 170.6
28b (CH3) 21