(Q105147023)

English

[(1R,3aS,4R,5S,8aR)-4-hydroxy-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

4-hydroxy-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-1-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₃

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canonical SMILES

O=C(OC1C=C(C)C2C(O)C(CCC(=C)C12)C(C)CCC=C(C)C)C

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isomeric SMILES

C=C1CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O)[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]12

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found in taxon

Dictyota dichotoma

1 reference

stated in

New diterpenoids from the alga Dictyota dichotoma

Identifiers

InChI

InChI=1S/C22H34O3/c1-13(2)8-7-9-14(3)18-11-10-15(4)20-19(25-17(6)23)12-16(5)21(20)22(18)24/h8,12,14,18-22,24H,4,7,9-11H2,1-3,5-6H3/t14-,18+,19-,20-,21-,22-/m1/s1

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InChIKey

KWMGEPXGCSXVCH-ZBJKEIPXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KWMGEPXGCSXVCH-ZBJKEIPXSA-N

1 reference

(Q105147023)

[(1R,3aS,4R,5S,8aR)-4-hydroxy-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-1-yl] acetate

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Identifiers

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