(Q104969563)

English

[(1S,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,4,7,8-tetrahydroazulen-4-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8a-Hydroxy-3a,6-dimethyl-1-propan-2-yl-1,4,7,8-tetrahydroazulen-4-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

366.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₃

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canonical SMILES

O=C(OC1C=C(C)CCC2(O)C(C=CC12C)C(C)C)C=CC=3C=CC=CC3

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isomeric SMILES

CC1=C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C=C[C@H](C(C)C)[C@@]2(O)CC1

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found in taxon

Blainvillea acmella

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stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Spilanthes acmella

2 references

stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Identifiers

InChI

InChI=1S/C24H30O3/c1-17(2)20-13-14-23(4)21(16-18(3)12-15-24(20,23)26)27-22(25)11-10-19-8-6-5-7-9-19/h5-11,13-14,16-17,20-21,26H,12,15H2,1-4H3/b11-10+/t20-,21-,23-,24+/m1/s1

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InChIKey

CSTQRRVKUOEJIE-OUGOUTLESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSTQRRVKUOEJIE-OUGOUTLESA-N

(Q104969563)

[(1S,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,4,7,8-tetrahydroazulen-4-yl] (E)-3-phenylprop-2-enoate

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Identifiers

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