(23Z)-cycloart-23-ene-3β,25-diol

(23Z)-cycloart-23-ene-3β,25-diol

Common Name: (23Z)-cycloart-23-ene-3β,25-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8-/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1

InChIKey: InChIKey=JSPGKOBNHWTKNT-GGXSAIRCSA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: M+X

MHz:

Calibration:

NMR references: 13C - Takahashi, S., Satoh, H., Hongo, Y., Koshino, H. J Org Chem (2007) 72, 4578-81

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 (CH2) 33.3
2 (CH2) 31
3 (CH) 79.5
4 (C) 41.6
5 (CH) 48.7
6 (CH2) 22.3
7 (CH2) 27.2
8 (CH) 49.6
9 (C) 21.2
10 (C) 27.4
11 (CH2) 27.5
12 (CH2) 34.1
13 (C) 46.5
14 (C) 50
15 (CH2) 36.7
16 (CH2) 29.3
17 (CH) 53.9
18 (CH3) 18.7
19 (CH2) 30.9
20 (CH) 38.4
21 (CH3) 19
22 (CH2) 35.7
23 (CH) 130.2
24 (CH) 138.8
25 (C) 72
26 (CH3) 31.2
27 (CH3) 31
28 (CH3) 26.1
29 (CH3) 14.7
30 (CH3) 19.8