(Q105299696)

English

(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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

308.068473484 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

chemical formula

C₁₈H₁₂O₅

0 references

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

1 reference

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-/m0/s1

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InChIKey

VZDPNKZCXYBWLM-SGTLLEGYSA-N

0 references

CAS Registry Number

13401-64-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZDPNKZCXYBWLM-SGTLLEGYSA-N

1 reference

NMRShiftDB structure ID

20181697

1 reference

matched by identifier from

InChIKey

VZDPNKZCXYBWLM-SGTLLEGYSA-N

DSSTox substance ID

DTXSID101126692

1 reference

matched by identifier from

InChIKey

VZDPNKZCXYBWLM-SGTLLEGYSA-N

(Q105299696)

(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

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