(1α,3β,4α,5α,9β,24ξ)-1,3,24,28-Tetrahydroxy-14-methyl-9,19-cycloergostane-4-carboxylic acid

(1α,3β,4α,5α,9β,24ξ)-1,3,24,28-Tetrahydroxy-14-methyl-9,19-cycloergostane-4-carboxylic acid

Common Name: (1α,3β,4α,5α,9β,24ξ)-1,3,24,28-Tetrahydroxy-14-methyl-9,19-cycloergostane-4-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O6/c1-17(2)29(36,16-31)11-8-18(3)19-9-10-27(5)22-7-6-20-24(25(34)35)21(32)14-23(33)30(20)15-28(22,30)13-12-26(19,27)4/h17-24,31-33,36H,6-16H2,1-5H3,(H,34,35)/t18-,19-,20+,21+,22+,23+,24+,26-,27+,28+,29?,30-/m1/s1

InChIKey: InChIKey=WREYLHLWLBFMSW-IGVBWNOASA-N

Formula: C30H50O6

Molecular Weight: 506.715544

Exact Mass: 506.360739

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) 71.1
2 (CH2) 42.8
3 (CH) 68.7
4 (CH) 60.2
5 (CH) 34.1
6 (CH2) 25.7
7 (CH2) 25
8 (CH) 47
9 (C) 24.5
10 (C) 33.3
11 (CH2) 26.5
12 (CH2) 33.2
13 (C) 45.5
14 (C) 49.2
15 (CH2) 35.6
16 (CH2) 28.3
17 (CH) 52.5
18 (CH3) 17.9
19 (CH2) 26.5
20 (CH) 37.2
21 (CH3) 19.2
22 (CH2) 29.9
23 (CH2) 31.9
24 (C) 75.7
25 (CH) 33.1
26 (CH3) 17.7
27 (CH3) 17.7
28 (C) 177.5
30 (CH3) 18.7
24a (CH2) 66.1