(Q105153444)

English

(3S,3aS,6E,10Z,11aS)-3,6-dimethyl-10-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,6-dimethyl-10-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

412.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₈

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canonical SMILES

O=C1OC2C=C(COC3OC(OC)C(O)C(O)C3O)CCC=C(C)CCC2C1C

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isomeric SMILES

CO[C@@H]1O[C@H](OC/C2=C\[C@H]3OC(=O)[C@@H](C)[C@@H]3CC/C(C)=C/CC2)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Ixeris tamagawaensis

1 reference

stated in

Sesquiterpene lactones from Ixeris tamagawaensis Kitam. III.

Identifiers

InChI

InChI=1S/C21H32O8/c1-11-5-4-6-13(9-15-14(8-7-11)12(2)19(25)28-15)10-27-21-18(24)16(22)17(23)20(26-3)29-21/h5,9,12,14-18,20-24H,4,6-8,10H2,1-3H3/b11-5+,13-9-/t12-,14-,15+,16+,17+,18-,20+,21-/m0/s1

0 references

InChIKey

LLELILOURBLZJM-HAHVXZNNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LLELILOURBLZJM-HAHVXZNNSA-N

(Q105153444)

(3S,3aS,6E,10Z,11aS)-3,6-dimethyl-10-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

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Identifiers

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