Crystallography Open Database

Information card for entry 1514180

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Structure parameters

Formula	C34 H52 O5
Calculated formula	C34 H52 O5
SMILES	O=C(O[C@H]1C[C@H](OC1(C)C)[C@H]([C@@H]1[C@]2(CC=C3[C@]4(CC[C@H](OC(=O)C)C([C@@H]4CC=C3[C@@]2(CC1)C)(C)C)C)C)C)C
Title of publication	Hepatoprotective Effects of Triterpenoids from Ganoderma cochlear.
Authors of publication	Peng, Xing-Rong; Liu, Jie-Qing; Wang, Cui-Fang; Li, Xu-Yang; Shu, Yi; Zhou, Lin; Qiu, Ming-Hua
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	4
Pages of publication	737 - 743
a	6.9978 ± 0.0003 Å
b	11.1764 ± 0.0005 Å
c	20.4376 ± 0.0009 Å
α	90°
β	98.054 ± 0.002°
γ	90°
Cell volume	1582.66 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1514180.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514180.cif
112761	2014-05-04	cif/ Updating files of 1514180 Original log message: Adding full bibliography for 1514180.cif.	1514180.cif
108598	2014-04-02	cif/ Adding structures of 1514180 via cif-deposit CGI script.	1514180.cif