(Q105036492)

English

[(4S,4aS,5S,6S,8aR)-4-hydroxy-5-(hydroxymethyl)-3,4a-dimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-hydroxy-5-(hydroxymethyl)-3,4a-dimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(OC1CCC2CC=3OC=C(C3C(O)C2(C)C1CO)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1CO

0 references

found in taxon

Othonna leptodactyla

1 reference

stated in

Sesquiterpene derivatives from othonna and related species

Identifiers

InChI

InChI=1S/C20H28O5/c1-5-11(2)19(23)25-15-7-6-13-8-16-17(12(3)10-24-16)18(22)20(13,4)14(15)9-21/h5,10,13-15,18,21-22H,6-9H2,1-4H3/b11-5-/t13-,14+,15+,18-,20+/m1/s1

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InChIKey

IBFTZQWTJRSFIF-DKYYEGFGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IBFTZQWTJRSFIF-DKYYEGFGSA-N

(Q105036492)

[(4S,4aS,5S,6S,8aR)-4-hydroxy-5-(hydroxymethyl)-3,4a-dimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

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