(Q104965025)

English

(1R,6S,13R)-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

chemical compound

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1 reference

16,17-dimethoxy-6-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

1 reference

based on heuristic

inferred from SMILES

mass

704.2316352 dalton

1 reference

1 reference

C₃₄H₄₀O₁₆

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canonical SMILES

O=C1C2=CC=C3OC(C(=C)COC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)CC3=C2OC6COC7=CC(OC)=C(OC)C=C7C16

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isomeric SMILES

C=C(CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@H]2C3=O)O1

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found in taxon

Amorpha fruticosa

1 reference

stated in

Isolation of frutitsin from the seeds ofAmorpha fruticosa

Identifiers

InChI

InChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23-,24+,25+,27-,28+,29-,30+,31+,33-,34+/m0/s1

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InChIKey

CMQOKNQYLSMKJC-KMSBREDFSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104965025)

(1R,6S,13R)-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

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