(Q105211913)

English

(18S,19R)-13,16,17-trihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁸]nonadeca-3(7),5-dien-12-yl acetate

group of stereoisomers with the chemical formula C₂₂H₂₈O₈

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Statements

group of stereoisomers

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cassane diterpenoid

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cassane diterpenoid

420.17841785599995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C(OC1C2OC(=O)C3C=4C=COC4CC(C23)C5(C)C(O)C(O)CC(C)(C)C15O)C

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isomeric SMILES

CC(=O)OC1C2OC(=O)C3c4ccoc4CC([C@H]32)[C@@]2(C)C(O)C(O)CC(C)(C)C12O

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Identifiers

InChI=1S/C22H28O8/c1-9(23)29-18-16-15-11(7-13-10(5-6-28-13)14(15)19(26)30-16)21(4)17(25)12(24)8-20(2,3)22(18,21)27/h5-6,11-12,14-18,24-25,27H,7-8H2,1-4H3/t11?,12?,14?,15-,16?,17?,18?,21+,22?/m1/s1

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PNGGBDIIVKKALA-LLLCQXNSSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PNGGBDIIVKKALA-LLLCQXNSSA-N

UniChem compound ID

1 reference

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