(Q105290189)

English

[(1R,5R,6R,8R,8aR)-1-hydroxy-3,8-dimethyl-2-oxo-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] 3-methylbutanoate

chemical compound

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type of chemical entity

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subclass of

(1-hydroxy-3,8-dimethyl-2-oxo-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl) 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C(OC1CC(C)C2C(=C(C(=O)C2O)C)CC1C(=C)C)CC(C)C

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isomeric SMILES

C=C(C)[C@H]1CC2=C(C)C(=O)[C@H](O)[C@@H]2[C@H](C)C[C@H]1OC(=O)CC(C)C

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found in taxon

Hedlundia hybrida

1 reference

stated in

Isocedrene derivatives and other sesquiterpenes from moscharia pinnatifida

Moscharia pinnatifida

1 reference

stated in

Isocedrene derivatives and other sesquiterpenes from moscharia pinnatifida

Identifiers

InChI

InChI=1S/C20H30O4/c1-10(2)7-17(21)24-16-8-12(5)18-15(9-14(16)11(3)4)13(6)19(22)20(18)23/h10,12,14,16,18,20,23H,3,7-9H2,1-2,4-6H3/t12-,14-,16-,18-,20-/m1/s1

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InChIKey

VOHXZWFGTMZFIP-VMVFICBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VOHXZWFGTMZFIP-VMVFICBVSA-N

(Q105290189)

[(1R,5R,6R,8R,8aR)-1-hydroxy-3,8-dimethyl-2-oxo-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] 3-methylbutanoate

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