The structure of (1 S ,4 S ,4a R ,6 S ,6a R ,9 S ,11a S ,11b R ,12 R )-1,6,12-trihydroxy-4-(hydroxymethyl)-4,11b-dimethyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalen-7(1 H )-one - a Kaur-16-en-15-one

Jixin Li; Liang-Yue Li; Huan-Hai Fan; Xing-Ping Lv; Ya-Hua Liu

doi:10.1515/ncrs-2026-0332

August 18, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The structure of (1 S ,4 S ,4a R ,6 S ,6a R ,9 S ,11a S ,11b R ,12 R )-1,6,12-trihydroxy-4-(hydroxymethyl)-4,11b-dimethyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalen-7(1 H )-one - a Kaur-16-en-15-one

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Key Points

Determine the three-dimensional crystal and molecular structure of the diterpenoid compound (C20H30O5).
Single-crystal X-ray diffraction structure determination performed at T = 170.0 K.
Crystallographic space group assignment and structural model refinement against diffraction data.
The compound crystallizes in the monoclinic space group P21 (no. 4) with lattice parameters a = 6.409(3) Å, b = 10.007(9) Å, c = 14.954(5) Å, and β = 98.24(3)°.
The unit cell exhibits a volume of V = 949.2(10) Å³ with Z = 2 formula units per cell.
Structural refinement converged to residual factors of R_gt(F) = 0.0273 and wR_ref(F²) = 0.0730.

Implication

Crystallographic analysis reveals the monoclinic crystal structure of a kaur-16-en-15-one derivative, highlighting its exact three-dimensional stereochemical parameters.

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/6a86b5da8a91293e6a1cd592 https://doi.org/10.1515/ncrs-2026-0332

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The structure of (1 S ,4 S ,4a R ,6 S ,6a R ,9 S ,11a S ,11b R ,12 R )-1,6,12-trihydroxy-4-(hydroxymethyl)-4,11b-dimethyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalen-7(1 H )-one - a Kaur-16-en-15-one

Key Points

Implication

Abstract

Discussion

Cite This Study

The structure of (1 S ,4 S ,4a R ,6 S ,6a R ,9 S ,11a S ,11b R ,12 R )-1,6,12-trihydroxy-4-(hydroxymethyl)-4,11b-dimethyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalen-7(1 H )-one - a Kaur-16-en-15-one

Key Points

Implication

Abstract

Discussion

Cite This Study

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