(Q105307740)

English

5-Hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one

group of stereoisomers with the chemical formula C₂₈H₃₇NO₂

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Statements

instance of

group of stereoisomers

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subclass of

verticillane diterpenoid

1 reference

inferred from

verticillane diterpenoid

phenethylamine alkaloid

1 reference

inferred from

phenethylamine alkaloid

mass

419.282429424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO₂

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canonical SMILES

O=C1C2=C3C(N1CCC=4C=CC=CC4)CC(=CC(O)CC(=C)CCC(CC2)C3(C)C)C

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Identifiers

InChI

InChI=1S/C28H37NO2/c1-19-10-11-22-12-13-24-26(28(22,3)4)25(18-20(2)17-23(30)16-19)29(27(24)31)15-14-21-8-6-5-7-9-21/h5-9,17,22-23,25,30H,1,10-16,18H2,2-4H3

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InChIKey

WKVRSJMJFGOQJH-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WKVRSJMJFGOQJH-UHFFFAOYSA-N

(Q105307740)

5-Hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one

Statements

Identifiers

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