(Q104916982)

English

(3aS,5aR,6R,8aR)-3a-hydroxy-5a-methyl-6-[(E,2S)-6-methylhept-3-en-2-yl]-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a-Hydroxy-5a-methyl-6-(6-methylhept-3-en-2-yl)-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C1OC2(O)C(=C1)C3CCC(C(C=CCC(C)C)C)C3(C)CC2

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isomeric SMILES

CC(C)C/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C

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found in taxon

Homaxinella

1 reference

stated in

Cytotoxic sterol derivatives from a marine sponge Homaxinella sp

Identifiers

InChI

InChI=1S/C20H30O3/c1-13(2)6-5-7-14(3)15-8-9-16-17-12-18(21)23-20(17,22)11-10-19(15,16)4/h5,7,12-16,22H,6,8-11H2,1-4H3/b7-5+/t14-,15+,16-,19+,20-/m0/s1

0 references

InChIKey

AQPJSQVQFSPDJH-GPLFBFERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AQPJSQVQFSPDJH-GPLFBFERSA-N

(Q104916982)

(3aS,5aR,6R,8aR)-3a-hydroxy-5a-methyl-6-[(E,2S)-6-methylhept-3-en-2-yl]-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one

Statements

Identifiers

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