(Q105291062)

English

(6R)-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-1(13),3(11),4(8),9,14,16,18-heptaen-12-one

chemical compound

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instance of

type of chemical entity

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subclass of

16,17-dimethoxy-6-{3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]prop-1-en-2-yl}-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one

1 reference

based on heuristic

inferred from SMILES

mass

702.215985136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈O₁₆

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canonical SMILES

O=C1C2=CC=C3OC(C(=C)COC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)CC3=C2OC6=C1C=7C=C(OC)C(OC)=CC7OC6

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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(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1

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found in taxon

Amorpha fruticosa

1 reference

stated in

Biosynthesis of rotenoids by Amorpha fruticosa: sequence, specificity, and stereochemistry in the development of the hemiterpenoid segment

Identifiers

InChI

InChI=1S/C34H38O16/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/h4-6,8,17,19,24,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19+,24+,27-,28+,29-,30+,31+,33-,34+/m0/s1

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InChIKey

VPWMGKBNSSVTCP-JWQLDWHCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VPWMGKBNSSVTCP-JWQLDWHCSA-N

(Q105291062)

(6R)-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-1(13),3(11),4(8),9,14,16,18-heptaen-12-one

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