(Q82890544)

English

2,5,7,7a,11,16a-Hexamethyl-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-tetradecahydro-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione

group of stereoisomers with the chemical formula C₃₀H₄₁NO₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

495.298473412 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₁NO₅

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canonical SMILES

O=C1OC23N4CC5OC4(CCC2(C)C(C)(C1)C6C(=O)C(C)C7C(=O)C=C(C)CC7C6(C)C3)CC(C)C5

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isomeric SMILES

CC1=CC(=O)[C@H]2[C@@H](C)C(=O)[C@H]3[C@@](C)(CC45OC(=O)C[C@]3(C)[C@]4(C)CCC34C[C@@H](C)C[C@@H](CN35)O4)[C@@H]2C1

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Identifiers

InChI

InChI=1S/C30H41NO5/c1-16-10-20-23(21(32)11-16)18(3)24(34)25-26(20,4)15-30-28(6,27(25,5)13-22(33)36-30)7-8-29-12-17(2)9-19(35-29)14-31(29)30/h11,17-20,23,25H,7-10,12-15H2,1-6H3/t17-,18+,19-,20+,23-,25-,26-,27-,28-,29?,30?/m0/s1

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InChIKey

MHFATIOKBJDEOV-XXBWCJAGSA-N

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CAS Registry Number

93426-90-5

reason for deprecated rank

does not exactly match

intended subject of deprecated statement

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001347392

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(Q82890544)

2,5,7,7a,11,16a-Hexamethyl-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-tetradecahydro-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione

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