12β-Acetoxy-3β,7β-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid

12β-Acetoxy-3β,7β-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid

Common Name: 12β-Acetoxy-3β,7β-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h13,15-16,20-22,27,35-36H,9-12,14H2,1-8H3,(H,39,40)/t15-,16?,20+,21+,22+,27-,30+,31+,32+/m1/s1

InChIKey: InChIKey=RCSUYODNPCNTDX-KDLWUHESSA-N

Formula: C32H44O9

Molecular Weight: 572.687586

Exact Mass: 572.298533

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Guan, S.H., Yang, M., Wang, X.M., Xia, J.M., Zhang, Z.M., Liu, X., Guo, D.A. Magn Reson Chem (2007) 45, 789-91

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) 34.2
2 (CH2) 27.3
3 (CH) 78.2
4 (C) 38.5
5 (CH) 49.2
6 (CH2) 26
7 (CH) 66.6
8 (C) 158.3
9 (C) 142.6
10 (C) 38.7
11 (C) 192.2
12 (CH) 75.8
13 (C) 54
14 (C) 59.4
15 (C) 209.9
16 (CH) 122.5
17 (C) 187.1
18 (CH3) 26.3
19 (CH3) 18.4
20 (CH) 29.1
21 (CH3) 18.5
22 (CH2) 47.4
23 (C) 206.1
24 (CH2) 46
25 (CH) 34.2
26 (C) 180.3
27 (CH3) 16.7
28 (CH3) 28
29 (CH3) 15.3
30 (CH3) 33
12a (C) 170.7
12b (CH3) 20.7