2β,3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,22-dionea

2β,3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,22-dionea

Common Name: 2β,3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,22-dionea

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O7/c1-25(2,36)10-9-21(34)30(8,37)23-20(33)15-29(7)22-18(31)13-16-17(14-19(32)24(35)26(16,3)4)27(22,5)11-12-28(23,29)6/h13,17,19-20,22-24,32-33,35-37H,9-12,14-15H2,1-8H3/t17-,19+,20-,22-,23+,24+,27+,28-,29+,30+/m1/s1

InChIKey: InChIKey=RVJJXMIGCLEWAG-SFGJMHTGSA-N

Formula: C30H48O7

Molecular Weight: 520.699068

Exact Mass: 520.340004

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chaves, D.C., Assuncao, J.C., Braz-Filho, R., Lemos, T.L., Monte, F.J. Magn Reson Chem (2007) 45, 389-92

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) 30.95
2 (CH) 68.53
3 (CH) 79.78
4 (C) 44.2
5 (C) 169.65
6 (CH) 125.5
7 (C) 202.28
8 (CH) 59.36
9 (C) 36.53
10 (CH) 40.13
11 (CH2) 31.34
12 (CH2) 30.95
13 (C) 48.88
14 (C) 48.65
15 (CH2) 47.46
16 (CH) 70.88
17 (CH) 59.56
18 (CH3) 18.52
19 (CH3) 28.44
20 (C) 80.76
21 (CH3) 25.92
22 (C) 216.74
23 (CH2) 33.01
24 (CH2) 38.02
25 (C) 69.4
26 (CH3) 30.4
27 (CH3) 30.4
28 (CH3) 27.78
29 (CH3) 26.11
30 (CH3) 19.49