(Q105108148)

English

(18S,19R)-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁸]nonadeca-3(7),5-dien-17-yl acetate

group of stereoisomers with the chemical formula C₂₂H₂₈O₆

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Statements

group of stereoisomers

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cassane diterpenoid

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cassane diterpenoid

388.188588616 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C(OC1CCC(C)(C)C2(O)CC3OC(=O)C4C=5C=COC5CC(C34)C12C)C

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isomeric SMILES

CC(=O)OC1CCC(C)(C)C2(O)CC3OC(=O)C4c5ccoc5CC([C@@H]34)[C@@]12C

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Identifiers

InChI=1S/C22H28O6/c1-11(23)27-16-5-7-20(2,3)22(25)10-15-18-13(21(16,22)4)9-14-12(6-8-26-14)17(18)19(24)28-15/h6,8,13,15-18,25H,5,7,9-10H2,1-4H3/t13?,15?,16?,17?,18-,21-,22?/m0/s1

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GXBMHMVGIRRPBD-UNOGSCBMSA-N

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1 reference

matched by identifier from

GXBMHMVGIRRPBD-UNOGSCBMSA-N

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