Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H46N2O12/c1-20(2)27-13-14-28(50-33(45)21(3)4)40-31(27)38(8,54-37(40)48)36(52-35(47)26-12-10-16-42-19-26)39(53-24(7)44)17-22(5)30(29(39)32(40)49-23(6)43)51-34(46)25-11-9-15-41-18-25/h9-16,18-19,21-22,27-32,36-37,48H,1,17H2,2-8H3/t22-,27+,28+,29+,30-,31-,32+,36+,37+,38+,39+,40-/m0/s1

InChIKey: InChIKey=FHFBBYPYSBCEBC-HNXKBMDOSA-N

Formula: C40H46N2O12

Molecular Weight: 746.801056

Exact Mass: 746.305075

NMR Solvent: D2O

MHz:

Calibration:

NMR references: 13C - Oksuz, S., Gurek, F., Qiu, S.X., Cordell, G.A. J Nat Prod (1998) 61, 1198-201

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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) 44.2
2 (CH) 37.3
3 (CH) 77.9
4 (CH) 51.6
5 (CH) 69.6
6 (C) 56.6
7 (CH) 81.2
8 (CH) 124.4
9 (CH) 134.5
10 (C) 147.1
11 (CH) 43.3
12 (CH) 37.6
13 (C) 89.6
14 (CH) 63.4
15 (C) 90
16 (CH3) 14.2
17 (CH) 98.9
18 (CH2) 113.4
19 (CH3) 19.4
20 (CH3) 25.5
3a (C) 164.3
3b (C) 127
3c (CH) 150.6
3d (CH) 153.5
3e (CH) 123.4
3f (CH) 137.5
5a (C) 168.6
5b (CH3) 22.6
7a (C) 174.9
7b (CH) 18.3
7c (CH3) 18.2
7ba (CH3) 34.3
14a (C) 165.8
14b (C) 125.6
14c (CH) 150
14d (CH) 152.9
14e (CH) 123.1
14f (CH) 137
15a (C) 162.8
15b (CH3) 20.8