35-amino-32,33,34-trihydroxy-N-ornithinylbacteriohopane

35-amino-32,33,34-trihydroxy-N-ornithinylbacteriohopane

Common Name: 35-amino-32,33,34-trihydroxy-N-ornithinylbacteriohopane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C50H83N3O9/c1-30(36-20-25-47(9)37(36)21-26-49(11)42(47)18-19-43-48(10)24-14-23-46(7,8)41(48)22-27-50(43,49)12)16-17-39(60-33(4)56)44(62-35(6)58)40(61-34(5)57)29-52-45(59)38(53-32(3)55)15-13-28-51-31(2)54/h30,36-44H,13-29H2,1-12H3,(H,51,54)(H,52,59)(H,53,55)/t30?,36-,37+,38?,39?,40?,41+,42-,43-,44?,47+,48+,49-,50-/m1/s1

InChIKey: InChIKey=AZBHQWLGTAZKTA-GILQOYBWSA-N

Formula: C50H83N3O9

Molecular Weight: 870.210751

Exact Mass: 869.612931

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Neunlist, S., Holst, O., Rohmer, M. Eur J Biochem (1985) 147, 561

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) 40.4
2 (CH2) 18.7
3 (CH2) 42.2
4 (C) 33.3
5 (CH) 56.2
6 (CH2) 18.7
7 (CH2) 33.3
8 (C) 41.7
9 (CH) 50.5
10 (C) 37.4
11 (CH2) 21
12 (CH2) 24
13 (CH) 49.4
14 (C) 41.8
15 (CH2) 33.7
16 (CH2) 22.8
17 (CH) 54.5
18 (C) 44.4
19 (CH2) 41.6
20 (CH2) 27.6
21 (CH) 46
22 (CH) 36
23 (CH3) 33.3
24 (CH3) 21.6
25 (CH3) 15.9
26 (CH3) 16.6
27 (CH3) 16.6
28 (CH3) 15.9
29 (CH3) 19.8
30 (CH2) 31
1' (C) 170.5
2' (CH3) 23.1
1'' (C) 170.1
2'' (CH3) 23.1
30a (CH2) 29.7
30b (CH) 70.4
30c (CH) 71.5
30d (CH) 72.1
30e (CH2) 38.8
30ba (C) 172.4
30bb (CH3) 21
30ca (C) 172
30cb (CH3) 21
30da (C) 170.8
30db (CH3) 21
30ea (C) 170.7
30eb (CH) 52.4
30ec (CH2) 25.5
30ed (CH2) 25.7
30ee (CH2) 39