(Q105314193)

English

[(1S,3S,8S,9Z,10aS)-3-hydroxy-1,9,10a-trimethyl-7-oxo-1,2,3,5,6,8-hexahydrobenzo[8]annulen-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3-Hydroxy-1,9,10a-trimethyl-7-oxo-1,2,3,5,6,8-hexahydrobenzo[8]annulen-8-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,8S,10aS)-3-hydroxy-1,9,10a-trimethyl-7-oxo-1,2,3,5,6,8-hexahydrobenzo[8]annulen-8-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₄

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canonical SMILES

O=C(OC1C(=O)CCC2=CC(O)CC(C)C2(C=C1C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1C(=O)CCC2=C[C@@H](O)C[C@H](C)[C@@]2(C)/C=C\1C

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found in taxon

Lemnalia africana

2 references

stated in

Neolemnane and eremophilane sesquiterpenoids from the pacific soft coral lemnalia africana

stated in

Neolemnane and eremophilane sesquiterpenoids from the pacific soft coral lemnalia africana

Identifiers

InChI

InChI=1S/C17H24O4/c1-10-9-17(4)11(2)7-14(19)8-13(17)5-6-15(20)16(10)21-12(3)18/h8-9,11,14,16,19H,5-7H2,1-4H3/b10-9-/t11-,14-,16-,17+/m0/s1

0 references

InChIKey

WWORHCJQQVZJAT-ZKROEHDQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWORHCJQQVZJAT-ZKROEHDQSA-N

1 reference

(Q105314193)

[(1S,3S,8S,9Z,10aS)-3-hydroxy-1,9,10a-trimethyl-7-oxo-1,2,3,5,6,8-hexahydrobenzo[8]annulen-8-yl] acetate

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Identifiers

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