(Q82982901)

English

7,9-Bis(acetyloxy)-2-(furan-3-yl)-1,6b,9a,12a-tetramethyl-5-oxo-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,1-d]oxepin-12-yl benzoate

group of stereoisomers with the chemical formula C₃₇H₄₂O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

646.277797544 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₂O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OC1CC(OC(C)=O)C2(C)C3C(OCC13C)C(OC(=O)c1ccccc1)C1(C)C3=C(C)C(c4ccoc4)CC3OC(=O)CC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@]4(C)C5=C(C)C(c6ccoc6)C[C@@H]5OC(=O)C[C@@H]4[C@]1(C)[C@@H]32

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H42O10/c1-19-24(23-12-13-42-17-23)14-25-30(19)37(6)26(15-29(40)46-25)36(5)28(45-21(3)39)16-27(44-20(2)38)35(4)18-43-31(32(35)36)33(37)47-34(41)22-10-8-7-9-11-22/h7-13,17,24-28,31-33H,14-16,18H2,1-6H3/t24?,25-,26+,27+,28-,31+,32-,33+,35+,36-,37+/m0/s1

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InChIKey

ASXOZSKFUKLCDP-SWVFQSRTSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701419671

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(Q82982901)

7,9-Bis(acetyloxy)-2-(furan-3-yl)-1,6b,9a,12a-tetramethyl-5-oxo-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,1-d]oxepin-12-yl benzoate

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