(Q104998376)

English

(3aS)-3aalpha,4,4aalpha,5,6,7,7abeta,9aalpha-Octahydro-4beta,5alpha-dihydroxy-5-methyl-3-methylene-8-(acetoxymethyl)azuleno[6,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(8,9-dihydroxy-8-methyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-5-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,4aS,5R,7aR,9aR)-4,5-dihydroxy-5-methyl-3-methylidene-2-oxo-3aH,4H,4aH,6H,7H,7aH,9aH-azuleno[6,5-b]furan-8-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,5aR,8R,8aS,9S,9aR)-8,9-dihydroxy-8-methyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-5-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₆

0 references

canonical SMILES

O=C1OC2C=C(COC(=O)C)C3CCC(O)(C)C3C(O)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C=C(COC(C)=O)[C@H]3CC[C@@](C)(O)[C@@H]3[C@H](O)[C@H]12

0 references

found in taxon

Tetraneuris scaposa var. scaposa

1 reference

stated in

Guaianolides, pseudoguaianolides and an aliphatic lactone from Hymenoxys scaposa var. Villosa

Identifiers

InChI

InChI=1S/C17H22O6/c1-8-13-12(23-16(8)20)6-10(7-22-9(2)18)11-4-5-17(3,21)14(11)15(13)19/h6,11-15,19,21H,1,4-5,7H2,2-3H3/t11-,12-,13-,14+,15-,17-/m1/s1

0 references

InChIKey

FNMWVZKUNFMUDV-TYVJZBCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNMWVZKUNFMUDV-TYVJZBCKSA-N

1 reference

(Q104998376)

(3aS)-3aalpha,4,4aalpha,5,6,7,7abeta,9aalpha-Octahydro-4beta,5alpha-dihydroxy-5-methyl-3-methylene-8-(acetoxymethyl)azuleno[6,5-b]furan-2(3H)-one

Statements

Identifiers

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