Crystallography Open Database

Information card for entry 1556858

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Structure parameters

Formula	C29 H44 O2
Calculated formula	C29 H44 O2
SMILES	C1CC(=O)[C@H]([C@@H]2CC=C3C(=C[C@H]([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C)O)[C@@]12C)C
Title of publication	Antcamphorols A–K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata
Authors of publication	Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min
Journal of publication	Journal of Natural Products
Year of publication	2019
a	11.0367 ± 0.0008 Å
b	12.1537 ± 0.0007 Å
c	18.4758 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2478.3 ± 0.2 Å³
Cell temperature	103.8 K
Ambient diffraction temperature	103.8 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.2631
Weighted residual factors for all reflections included in the refinement	0.2645
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556858.cif
246345	2020-01-01	cif/ Adding structures of 1556858 via cif-deposit CGI script.	1556858.cif