(Q82897761)

English

3-(Acetyloxy)-8-(furan-3-yl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₄H₄₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

598.314183052 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₆O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C4OC5CC(c6ccoc6)C(C)=C5C4(C)C(CC(=O)OC)C1(C)C32

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@@H](C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)C(CC(=O)OC)[C@]1(C)[C@@H]32

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h10-11,15,17,21-25,28-30H,9,12-14,16H2,1-8H3/t17-,21-,22-,23?,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1

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InChIKey

SIEHUSRDVBNRGT-YIFLUAJNSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID001352567

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(Q82897761)

3-(Acetyloxy)-8-(furan-3-yl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl 2-methylbutanoate

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