(Q105314728)

English

2-[(1R,2R,5R)-2-[(1aS,4aS,7S,8aR)-7-hydroxy-4a-methyl-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-3-yl]-1-methyl-5-[(2R)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]acetaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-(7-hydroxy-4a-methyl-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-3-yl)-1-methyl-5-(6-methyl-5-methylideneheptan-2-yl)cyclopentyl]acetaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

442.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₄

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canonical SMILES

O=CCC1(C)C(C2=CC3OC43CC(O)CCC4(C2=O)C)CCC1C(C)CCC(=C)C(C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CC=O)C(C)C

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found in taxon

Spongia agaricina

1 reference

stated in

New Metabolites from the SpongeSpongia agaricina

Identifiers

InChI

InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(26(22,5)13-14-29)21-15-24-28(32-24)16-20(30)11-12-27(28,6)25(21)31/h14-15,17,19-20,22-24,30H,3,7-13,16H2,1-2,4-6H3/t19-,20+,22-,23+,24+,26-,27-,28+/m1/s1

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InChIKey

WXLRMCWJGIIWNT-JIJRDBPRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WXLRMCWJGIIWNT-JIJRDBPRSA-N

1 reference

(Q105314728)

2-[(1R,2R,5R)-2-[(1aS,4aS,7S,8aR)-7-hydroxy-4a-methyl-4-oxo-5,6,7,8-tetrahydro-1aH-naphtho[1,8a-b]oxiren-3-yl]-1-methyl-5-[(2R)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]acetaldehyde

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Identifiers

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