(Q82028792)

English

(2r,3r,4as,4bs,10as,10br,11s,12as)-10b-fluoro-2,3,11-trihydroxy-2,10a,12a-trimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydrochrysene-1,8(2h,4bh)-dione

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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378.184252184 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₇FO₅

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canonical SMILES

CC1(O)C(=O)C2(C)CC(O)C3(F)C(CCC4=CC(=O)C=CC43C)C2CC1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@](C2=O)(C)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O

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Identifiers

InChI=1S/C21H27FO5/c1-18-10-16(25)21(22)13(14(18)9-15(24)20(3,27)17(18)26)5-4-11-8-12(23)6-7-19(11,21)2/h6-8,13-16,24-25,27H,4-5,9-10H2,1-3H3/t13-,14-,15+,16-,18-,19-,20+,21-/m0/s1

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SPKUCNSUBYLCEE-WTNVDEMLSA-N

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CAS Registry Number

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matched by identifier from

SPKUCNSUBYLCEE-WTNVDEMLSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

SPKUCNSUBYLCEE-WTNVDEMLSA-N

DSSTOX compound identifier

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