Methyl (1α,3β,9β)-1,3-dihydroxy-21,24-dioxo-9,19-cyclolanost-25-en-28-oate

Methyl (1α,3β,9β)-1,3-dihydroxy-21,24-dioxo-9,19-cyclolanost-25-en-28-oate

Common Name: Methyl (1α,3β,9β)-1,3-dihydroxy-21,24-dioxo-9,19-cyclolanost-25-en-28-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H46O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h16,19-20,22-25,34-35H,1,7-15,17H2,2-6H3/t19-,20+,22-,23-,24-,25-,27+,28-,29-,30-,31+/m0/s1

InChIKey: InChIKey=NGBSMGBGLBXIAG-WWBLYMFLSA-N

Formula: C31H46O6

Molecular Weight: 514.694517

Exact Mass: 514.329439

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) 72.1
2 (CH2) 38.7
3 (CH) 70.4
4 (C) 56
5 (CH) 37.8
6 (CH2) 23.1
7 (CH2) 26.9
8 (CH) 47.5
9 (C) 20.7
10 (C) 30.3
11 (CH2) 25.6
12 (CH2) 31.7
13 (C) 45.5
14 (C) 48.9
15 (CH2) 35.4
16 (CH2) 23.4
17 (CH) 47.4
18 (CH3) 19.2
19 (CH2) 29.4
20 (CH) 55.8
21 (CH) 205.7
22 (CH2) 25.9
23 (CH2) 35.1
24 (C) 200.1
25 (C) 144.5
26 (CH2) 124.8
27 (CH3) 17.8
28 (C) 178.1
29 (CH3) 9.5
30 (CH3) 19.1
28a (CH3) 51.5