(Q105017496)

English

(6-Acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl) acetate

group of stereoisomers with the chemical formula C₃₁H₄₄O₅

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Statements

group of stereoisomers

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isocopalane diterpenoid

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isocopalane diterpenoid

496.318874508 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₅

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canonical SMILES

O=C(OC=1C=C(C=2OC3(C)CCC4C(C)(CCC5C(C)(C)C(OC(=O)C)CCC54C)C3CC2C1)C)C

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Identifiers

InChI=1S/C31H44O5/c1-18-15-22(34-19(2)32)16-21-17-25-30(7)12-9-23-28(4,5)26(35-20(3)33)11-13-29(23,6)24(30)10-14-31(25,8)36-27(18)21/h15-16,23-26H,9-14,17H2,1-8H3

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GSOQDUALHDCWOK-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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