(Q105307737)

English

(1R,3E,5S,10R)-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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

419.282429424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3E,5R,10S)-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₇NO₂

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](O)C1)N(CCc1ccccc1)C3=O)C2(C)C

0 references

found in taxon

Conglomeratusclera coerulea

1 reference

stated in

Nitrogen-containing verticillene diterpenoids from the Taiwanese soft coral Cespitularia taeniata.

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/b20-17+/t22-,23+,25-/m1/s1

0 references

InChIKey

WKVRSJMJFGOQJH-GZMCYQHKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WKVRSJMJFGOQJH-GZMCYQHKSA-N

1 reference

(Q105307737)

(1R,3E,5S,10R)-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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