(Q105020514)

English

(1R,2S,5S,6R,9R,12S,13R,17S,18S)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-17-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.0²,⁹.0⁵,⁹.0¹³,¹⁸.0¹⁸,²⁰]henicos-15-ene-8,14-dione

group of stereoisomers with the chemical formula C₂₈H₃₄O₇

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instance of

group of stereoisomers

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1 reference

482.2304534279999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₄O₇

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canonical SMILES

O=C1OC(CC(=C1C)C)C2(OC(=O)C34CCC5C(CC6OC76C(O)C=CC(=O)C57C)C4CCC23)C

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isomeric SMILES

CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](CC6O[C@@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@@H]42)C1

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Identifiers

InChI

InChI=1S/C28H34O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h7-8,15-18,20-22,30H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22?,25+,26-,27-,28+/m1/s1

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InChIKey

GUTRJAVJYHGRQZ-WKSIBISRSA-N

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PubChem CID

163192969

1 reference

based on heuristic

inferred from InChIKey

(Q105020514)

(1R,2S,5S,6R,9R,12S,13R,17S,18S)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-17-hydroxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.0²,⁹.0⁵,⁹.0¹³,¹⁸.0¹⁸,²⁰]henicos-15-ene-8,14-dione

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