(Q82809774)

English

(2R,4a'S,4b'S,6a'S,6b'R,9a'S,10a'S,10b'R)-4a',5,6a',7'-Tetramethylhexadecahydro-1'H-dispiro[oxane-2,8'-naphtho[2',1':4,5]indeno[2,1-b]furan-6',2''-oxirane]

group of stereoisomers with the chemical formula C₂₈H₄₄O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

428.32904526799996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2(OC1)OC1CC3C4CCC5CCCCC5(C)C4CC4(CO4)C3(C)C1C2C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC4(CO4)[C@]3(C)[C@H]1[C@@H]2C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H44O3/c1-17-10-12-28(29-15-17)18(2)24-23(31-28)13-21-20-9-8-19-7-5-6-11-25(19,3)22(20)14-27(16-30-27)26(21,24)4/h17-24H,5-16H2,1-4H3/t17?,18-,19?,20-,21-,22-,23-,24-,25-,26-,27?,28+/m0/s1

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InChIKey

WZCDFVRYEZPAIY-ZKDUQRJZSA-N

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CAS Registry Number

72869-17-1

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InChIKey

WZCDFVRYEZPAIY-ZKDUQRJZSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=72869-17-1

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26 December 2021

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DSSTOX compound identifier

DTXCID80776594

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(Q82809774)

(2R,4a'S,4b'S,6a'S,6b'R,9a'S,10a'S,10b'R)-4a',5,6a',7'-Tetramethylhexadecahydro-1'H-dispiro[oxane-2,8'-naphtho[2',1':4,5]indeno[2,1-b]furan-6',2''-oxirane]

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Identifiers

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