2β3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,11,22-trione

2β3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,11,22-trione

Common Name: 2β3β,16α,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,11,22-trione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O8/c1-25(2,37)10-9-20(34)30(8,38)23-19(33)13-27(5)22-17(31)11-15-16(12-18(32)24(36)26(15,3)4)29(22,7)21(35)14-28(23,27)6/h11,16,18-19,22-24,32-33,36-38H,9-10,12-14H2,1-8H3/t16-,18+,19-,22+,23+,24+,27+,28-,29-,30+/m1/s1

InChIKey: InChIKey=CEXXNUWIPXZZMB-CASDGZEASA-N

Formula: C30H46O8

Molecular Weight: 534.682591

Exact Mass: 534.319268

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) 30.17
2 (CH) 68.04
3 (CH) 80.28
4 (C) 44.29
5 (C) 167.95
6 (CH) 125.18
7 (C) 199.89
8 (CH) 59.48
9 (C) 50.06
10 (CH) 36.91
11 (C) 211.56
12 (CH2) 49.63
13 (C) 51.12
14 (C) 48.88
15 (CH2) 47.18
16 (CH) 70.61
17 (CH) 59.06
18 (CH3) 20.65
19 (CH3) 21.25
20 (C) 80.37
21 (CH3) 25.76
22 (C) 216.39
23 (CH2) 33.15
24 (CH2) 38.8
25 (C) 69.42
26 (CH3) 30.39
27 (CH3) 30.39
28 (CH3) 27.78
29 (CH3) 26.11
30 (CH3) 19.9