(Q105120943)

English

[(3R,3aS,4R,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

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mass

372.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Lancerodiol P-Hydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₅

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canonical SMILES

O=C(OC1C=C(C(=O)CC2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(O)C=C3

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isomeric SMILES

CC1=C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)CC1=O

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found in taxon

Ferula lancerottensis

1 reference

stated in

Carotane sesquiterpenes from Ferula lancerottensis

Identifiers

InChI

InChI=1S/C22H28O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,11,13,18-19,23,26H,9-10,12H2,1-4H3/t18-,19-,21-,22-/m1/s1

0 references

InChIKey

IUZVQQNKQMFGQK-UGESXGAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUZVQQNKQMFGQK-UGESXGAOSA-N

(Q105120943)

[(3R,3aS,4R,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate

Statements

Identifiers

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