(Q104975960)

English

(3S,3aS,6S,7R,7aR)-3-benzyl-6,7a-dihydroxy-7-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-benzyl-6,7a-dihydroxy-7-(6-hydroxy-4-methyl-5-oxohept-1-enyl)-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one

1 reference

based on heuristic

inferred from SMILES

mass

427.235873156 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,3aS,6S,7R,7aS)-3-benzyl-6,7a-dihydroxy-7-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₃NO₅

0 references

canonical SMILES

CC1=C(C)C2C(Cc3ccccc3)NC(=O)C2(O)C(C=CCC(C)C(=O)C(C)O)C1O

0 references

isomeric SMILES

CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]2(O)[C@H](/C=C/C[C@H](C)C(=O)[C@H](C)O)[C@@H]1O

0 references

found in taxon

Mariannaea elegans

1 reference

stated in

Novel open-chain cytochalsins from the marine-derived fungus Spicaria elegans.

Identifiers

InChI

InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14,17,19-21,23,27,29,31H,9,13H2,1-4H3,(H,26,30)/b12-8+/t14-,17-,19+,20-,21-,23+,25-/m0/s1

0 references

InChIKey

DCWOIJNXHXDCKT-WICHJMTISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCWOIJNXHXDCKT-WICHJMTISA-N

(Q104975960)

(3S,3aS,6S,7R,7aR)-3-benzyl-6,7a-dihydroxy-7-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one

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