(Q105250787)

English

(3aR,6abeta,9abeta,9balpha)-4beta-[[(Z)-2-Methyl-2-butenoyl]oxy]-3,6,9-trismethylene-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(8-Hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₅

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)C)CC(=C)C3CC(O)C(=C)C23

0 references

isomeric SMILES

C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12

0 references

found in taxon

Rhodanthe maryonii

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Vernonanthura montevidensis

2 references

stated in

Piptocarphol esters and other constituents from Vernonia cognata

stated in

Diterpenes from Vernonanthura amplexicaulis

Identifiers

InChI

InChI=1S/C20H24O5/c1-6-9(2)19(22)24-15-7-10(3)13-8-14(21)11(4)16(13)18-17(15)12(5)20(23)25-18/h6,13-18,21H,3-5,7-8H2,1-2H3/b9-6-/t13-,14-,15-,16-,17+,18+/m0/s1

0 references

InChIKey

SDRJABGPZHYDOV-WPSQCNNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SDRJABGPZHYDOV-WPSQCNNFSA-N

1 reference

(Q105250787)

(3aR,6abeta,9abeta,9balpha)-4beta-[[(Z)-2-Methyl-2-butenoyl]oxy]-3,6,9-trismethylene-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one

Statements

Identifiers

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