(Q105202173)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,7S,9aR)-7-hydroxy-1-[(2R,6S)-7-hydroxy-6-methylheptan-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

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Alternaria alternata

1 reference

stated in

Tricycloalternarenes A - E: Five New Mixed Terpenoids from the Endophytic Fungal StrainAlternaria alternataLy83

Gymnosporia oxyphylla

1 reference

stated in

Labdane and Tetranorlabdane Diterpenoids fromBotryosphaeriasp. MHF, an Endophytic fungus ofMaytenus hookeri

Gymnosporia acuminata

1 reference

stated in

Labdane and Tetranorlabdane Diterpenoids fromBotryosphaeriasp. MHF, an Endophytic fungus ofMaytenus hookeri

Identifiers

InChI

InChI=1S/C21H32O4/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/h9,13-14,17-18,22-23H,4-8,10-12H2,1-3H3/t13-,14+,17+,18-,21-/m0/s1

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InChIKey

OWOXNHSVILPOPC-FFHOOBKTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWOXNHSVILPOPC-FFHOOBKTSA-N

(Q105202173)

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

Statements

Identifiers

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