(Q115971850)

English

(1S,3aS,3bR,4R,5aR,10aR,10bR,11R,12R,12aS)-1-(furan-3-yl)-4,11,12-trihydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

458.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₇

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canonical SMILES

O=C1OC(C)(C)C2CC(O)C3(C)C4C(=O)CC(C5=COC=C5)C4(C)C(O)C(O)C3C2(C=C1)C

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isomeric SMILES

CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@]4(C)[C@@H](C(=O)C[C@H]4c4ccoc4)[C@]3(C)[C@H](O)C[C@@H]12

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found in taxon

Aphanamixis grandifolia

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stated in

Bioactive terpenoids from the fruits of Aphanamixis grandifolia

Aphanamixis polystachya

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stated in

Bioactive terpenoids from the fruits of Aphanamixis grandifolia

Identifiers

InChI

InChI=1S/C26H34O7/c1-23(2)16-11-17(28)26(5)20-15(27)10-14(13-7-9-32-12-13)25(20,4)22(31)19(30)21(26)24(16,3)8-6-18(29)33-23/h6-9,12,14,16-17,19-22,28,30-31H,10-11H2,1-5H3/t14-,16-,17+,19+,20+,21+,22-,24-,25-,26-/m0/s1

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InChIKey

ZKJDMXKOBXJDDB-MGJCYGGASA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ZKJDMXKOBXJDDB-MGJCYGGASA-N

1 reference

(Q115971850)

(1S,3aS,3bR,4R,5aR,10aR,10bR,11R,12R,12aS)-1-(furan-3-yl)-4,11,12-trihydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione

Statements

Identifiers

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