(Q105160302)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(7-Hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl)-2-methylheptyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₅

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canonical SMILES

O=C(OCC(C)CCCC(C1=CCC2(OC3=C(C(=O)C(O)CC3)CC12)C)C)C

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isomeric SMILES

CC(=O)OC[C@H](C)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

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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/C23H34O5/c1-14(13-27-16(3)24)6-5-7-15(2)17-10-11-23(4)19(17)12-18-21(28-23)9-8-20(25)22(18)26/h10,14-15,19-20,25H,5-9,11-13H2,1-4H3/t14-,15-,19-,20+,23+/m1/s1

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InChIKey

MAEVXWFGXDQDNK-JMRJTXQXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MAEVXWFGXDQDNK-JMRJTXQXSA-N

(Q105160302)

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

Statements

Identifiers

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