(Q105122842)

English

(4aS,5S,8aS,9aR)-5-hydroxy-3,8a-dimethyl-5-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,6,7,8,9,9a-hexahydro-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

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

1 reference

based on heuristic

inferred from SMILES

mass

428.204632604 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₉

0 references

canonical SMILES

O=C1OC2C(=C1C)CC3C(O)(COC4OC(CO)C(O)C(O)C4O)CCCC3(C)C2

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isomeric SMILES

CC1=C2C[C@H]3[C@@](C)(CCC[C@@]3(O)CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]2OC1=O

0 references

found in taxon

Sarcandra glabra

1 reference

stated in

Three novel sesquiterpene glycosides of Sarcandra glabra

Identifiers

InChI

InChI=1S/C21H32O9/c1-10-11-6-14-20(2,7-12(11)29-18(10)26)4-3-5-21(14,27)9-28-19-17(25)16(24)15(23)13(8-22)30-19/h12-17,19,22-25,27H,3-9H2,1-2H3/t12-,13+,14+,15+,16-,17+,19+,20+,21-/m1/s1

0 references

InChIKey

IYNKLNZIARHEHE-VGTRYFNESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYNKLNZIARHEHE-VGTRYFNESA-N

(Q105122842)

(4aS,5S,8aS,9aR)-5-hydroxy-3,8a-dimethyl-5-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one

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Identifiers

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