Acutissimatriterpene B

Acutissimatriterpene B

Common Name: Acutissimatriterpene B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H50O6/c1-33(42-5)20-39(44-22-33)19-26(32(41)45-39)27-12-16-38-21-37(27,38)15-13-29-34(2)14-11-25-17-28(24-9-7-6-8-10-24)43-23-35(25,3)30(34)18-31(40)36(29,38)4/h6-11,19,27-31,40H,12-18,20-23H2,1-5H3/t27-,28-,29+,30+,31+,33+,34+,35-,36-,37+,38+,39+/m0/s1

InChIKey: InChIKey=DUBRTGHCJCCRAJ-NDPQQQCZSA-N

Formula: C39H50O6

Molecular Weight: 614.812167

Exact Mass: 614.360739

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tuchinda, P., Kornsakulkarn, J., Pohmakotr, M., Kongsaeree, P., Prabpai, S., Yoosook, C., Kasisit, J., Napaswad, C., Sophasan, S., Reutrakul, V. J Nat Prod (2008) 71, 655-63

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) 40.1
2 (CH) 118
3 (C) 139.5
4 (C) 38.3
5 (CH) 43.6
6 (CH2) 23.8
7 (CH) 73.9
8 (C) 38.5
9 (CH) 42.4
10 (C) 36.6
11 (CH2) 16.2
12 (CH2) 25.2
13 (C) 27.9
14 (C) 35.3
15 (CH2) 26.8
16 (CH2) 27.7
17 (CH) 42.9
18 (CH2) 14.1
19 (CH3) 16.7
20 (C) 138.4
21 (C) 171.1
22 (CH) 143.1
23 (C) 113.3
24 (CH2) 46.8
25 (C) 83.3
26 (CH2) 77.3
27 (CH3) 20.1
28 (CH3) 23.8
29 (CH2) 72.6
30 (CH3) 19.7
1' (C) 142.6
2' (CH) 125.8
3' (CH) 128.3
4' (CH) 127.4
5' (CH) 128.3
6' (CH) 125.8
7' (CH) 81.7
8' (CH2) 40.7
25a (CH3) 50.8