(Q82598671)

English

(4aR,6aS,10bS,12R)-5,12-Dihydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one

group of stereoisomers with the chemical formula C₂₃H₂₉NO₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

415.19948764799994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₉NO₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC1=NC2(C(=O)CO)C(CC3C4CC(O)C5=CC(=O)C=CC5(C)C4C(O)CC32C)O1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=NC2(C(=O)CO)C(CC3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)C4C(O)C[C@@]32C)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H29NO6/c1-11-24-23(18(29)10-25)19(30-11)8-14-13-7-16(27)15-6-12(26)4-5-21(15,2)20(13)17(28)9-22(14,23)3/h4-6,13-14,16-17,19-20,25,27-28H,7-10H2,1-3H3/t13-,14?,16+,17?,19?,20?,21-,22-,23?/m0/s1

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InChIKey

GUUSJROCWMOQNZ-VDNFCOAWSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID80626681

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(Q82598671)

(4aR,6aS,10bS,12R)-5,12-Dihydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one

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