Cereotagalol A

Cereotagalol A

Common Name: Cereotagalol A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H52O4/c1-19(2)22(32)11-17-30(7,34)21-10-15-28(5)20(21)8-9-24-26(3)14-13-25(33)27(4,18-31)23(26)12-16-29(24,28)6/h20-25,31-34H,1,8-18H2,2-7H3/t20-,21+,22?,23-,24-,25+,26+,27+,28-,29-,30+/m1/s1

InChIKey: InChIKey=FHBFNEUJHULFCA-MWXKVCQFSA-N

Formula: C30H52O4

Molecular Weight: 476.732616

Exact Mass: 476.38656

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pakhathirathien, C., Karalai, C., Ponglimanont, C., Subhadhirasakul, S., Chantrapromma, K. J Nat Prod (2005) 68, 1787-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 38.7
2 (CH2) 27
3 (CH) 76.6
4 (C) 42
5 (CH) 50.6
6 (CH2) 18.4
7 (CH2) 35
8 (C) 40.4
9 (CH) 50.4
10 (C) 37
11 (CH2) 21.5
12 (CH2) 24.9
13 (CH) 42.3
14 (C) 50.3
15 (CH2) 31.2
16 (CH2) 27.5
17 (CH) 50.1
18 (CH3) 16.5
19 (CH3) 16.5
20 (C) 75.1
21 (CH3) 25.4
22 (CH2) 36.6
23 (CH2) 29.3
24 (CH) 76.5
25 (C) 147.6
26 (CH2) 110.9
27 (CH3) 17.8
28 (CH2) 71.9
29 (CH3) 11.3
30 (CH3) 15.5