(Q82996836)

English

3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

562.2777975439999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

COC1CC(C)OC2OC3CC4(C)C(CCC5C4C(=O)C(O)C4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC12O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@@H]1C[C@@H](C)O[C@H]2O[C@H]3C[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C(=O)[C@H](O)[C@]4(C)[C@@H](C6=CC(=O)OC6)CCC54O)C[C@@H]3O[C@]21O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H42O10/c1-14-9-21(36-4)30(35)26(38-14)39-20-12-27(2)16(11-19(20)40-30)5-6-18-23(27)24(32)25(33)28(3)17(7-8-29(18,28)34)15-10-22(31)37-13-15/h10,14,16-21,23,25-26,33-35H,5-9,11-13H2,1-4H3/t14-,16-,17-,18-,19+,20+,21-,23-,25+,26+,27+,28+,29?,30+/m1/s1

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InChIKey

BRTUQPCQNQOTHY-MQCGWOFGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101429555

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(Q82996836)

3a,7a,15-Trihydroxy-8-methoxy-10,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-8H,14H-cyclopenta[7,8]phenanthro[2,3-b]pyrano[2,3-e][1,4]dioxin-14-one

Statements

Identifiers

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