(Q105143728)

English

(3aS,7R,9aR)-7-hydroxy-1-[(E,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

11-hydroxy-6-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one

1 reference

based on heuristic

inferred from SMILES

11-hydroxy-6-(7-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one

1 reference

based on heuristic

inferred from SMILES

mass

346.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,7R,9aS)-7-hydroxy-1-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,7S,9aR)-7-hydroxy-1-[(E,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₄

0 references

canonical SMILES

O=C1C2=C(OC3(C)CC=C(C(C)CCC=C(C)CO)C3C2)CCC1O

0 references

isomeric SMILES

C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3)CO

0 references

found in taxon

Alternaria alternata

1 reference

stated in

Tricycloalternarenes produced by Alternaria alternata related to ACTG-toxins

Alternaria citri

1 reference

stated in

Studies on host-selective toxins produced by a pathotype of Alternaria citri causing brown spot disease of mandarins.

Identifiers

InChI

InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-19(25-21)8-7-18(23)20(16)24/h5,9,14,17-18,22-23H,4,6-8,10-12H2,1-3H3/b13-5+/t14-,17+,18+,21-/m0/s1

0 references

InChIKey

KOATXBNOVXBDJE-VNZFQZMUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOATXBNOVXBDJE-VNZFQZMUSA-N

(Q105143728)

(3aS,7R,9aR)-7-hydroxy-1-[(E,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one

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Identifiers

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