(Q110183953)

English

(5Z)-5-{2-[(4E)-1-(6-hydroxy-6-methylheptan-2-yl)-3a,7a-dimethyl-hexahydroinden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

group of stereoisomers with the chemical formula C₂₈H₄₆O₃

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Statements

group of stereoisomers

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chemical compound

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430.344695332 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₃

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canonical SMILES

OC1C(=C)C(=CC=C2CCCC3(C)C(CCC23C)C(C)CCCC(O)(C)C)CC(O)C1

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isomeric SMILES

C=C1/C(=C\C=C2/CCCC3(C)C(C(C)CCCC(C)(C)O)CCC23C)CC(O)CC1O

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based on heuristic

inferred from InChI

Streptomyces halstedii

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Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1

Streptomyces griseolus

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Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1

Identifiers

InChI=1S/C28H46O3/c1-19(9-7-14-26(3,4)31)24-13-16-27(5)22(10-8-15-28(24,27)6)12-11-21-17-23(29)18-25(30)20(21)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11-,22-12+

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JJWHREWZPKIMHU-ZCJKAFFOSA-N

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