(Q105122366)

English

(4aS,8S,8aR,9aS)-3,8a-dimethyl-5-methylidene-8-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(4aS,8S,8aR,9aS)-3,8a-dimethyl-5-methylidene-8-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

3,8a-dimethyl-5-methylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,4aH,8H,9H,9aH-naphtho[2,3-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

408.178417856 dalton

1 reference

1 reference

C₂₁H₂₈O₈

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canonical SMILES

O=C1OC2C(=C1C)CC3C(=C)C=CC(OC4OC(CO)C(O)C(O)C4O)C3(C)C2

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isomeric SMILES

C=C1C=C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12

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found in taxon

Chloranthus spicatus

1 reference

stated in

Mono- and Di-sesquiterpenoids from Chloranthus spicatus

Sarcandra glabra

1 reference

stated in

Hepatoprotective sesquiterpene glycosides from Sarcandra glabra

Identifiers

InChI

InChI=1S/C21H28O8/c1-9-4-5-15(29-20-18(25)17(24)16(23)14(8-22)28-20)21(3)7-13-11(6-12(9)21)10(2)19(26)27-13/h4-5,12-18,20,22-25H,1,6-8H2,2-3H3/t12-,13-,14+,15-,16-,17-,18+,20-,21+/m0/s1

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InChIKey

IXPRKLBCFLYFKW-BRLPLDAOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXPRKLBCFLYFKW-BRLPLDAOSA-N

(Q105122366)

(4aS,8S,8aR,9aS)-3,8a-dimethyl-5-methylidene-8-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one

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