(Q105299695)

English

(1S,13S)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

308.068473484 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,13R)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene

1 reference

based on heuristic

inferred from InChI

(1R,13R)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₁₂O₅

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canonical SMILES

O1C=CC=2C=C3C(OCC4C5=CC=6OCOC6C=C5OC34)=CC12

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isomeric SMILES

c1cc2cc3c(cc2o1)OC[C@@H]1c2cc4c(cc2O[C@H]31)OCO4

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found in taxon

Neorautanenia amboensis

1 reference

stated in

Chemistry of Edulin, Neorautone, and Related Compounds from Neorautanenia edulis C.A. Sm.

Neorautanenia mitis

2 references

stated in

Rautandiols A and B, pterocarpans and cytotoxic constituents from Neorautanenia mitis

stated in

Chemistry of Edulin, Neorautone, and Related Compounds from Neorautanenia edulis C.A. Sm.

Identifiers

InChI

InChI=1S/C18H12O5/c1-2-19-13-5-14-11(3-9(1)13)18-12(7-20-14)10-4-16-17(22-8-21-16)6-15(10)23-18/h1-6,12,18H,7-8H2/t12-,18-/m1/s1

0 references

InChIKey

VZDPNKZCXYBWLM-KZULUSFZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZDPNKZCXYBWLM-KZULUSFZSA-N

1 reference

(Q105299695)

(1S,13S)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene

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Identifiers

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