(Q82964373)

English

6b-(Chloroacetyl)-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

chemical compound

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instance of

type of chemical entity

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1 reference

436.20165183599994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₃₃ClO₅

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canonical SMILES

CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC3(C)C2(C(=O)CCl)O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O

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Identifiers

InChI

InChI=1S/C24H33ClO5/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h9,15-17,19-20,27H,5-8,10-12H2,1-4H3/t15-,16-,17-,19-,20+,22-,23-,24+/m0/s1

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InChIKey

FXFIRGYQADSTIQ-JGHJVBRBSA-N

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matched by identifier from

InChIKey

FXFIRGYQADSTIQ-JGHJVBRBSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FXFIRGYQADSTIQ-JGHJVBRBSA-N

DSSTOX compound identifier

DTXCID901406191

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(Q82964373)

6b-(Chloroacetyl)-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

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