(Q105383145)

English

(1R,2R,14S,15R)-4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.02,14.03,12.05,10.018,27.019,24]heptacosa-3,5(10),6,8,11,18(27),19,21,23-nonaen-26-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.0²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(12),4,6,8,10,18(27),19,21,23,25-decaen-26-ol

1 reference

based on heuristic

inferred from SMILES

mass

486.179086552 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₆N₂O₆

0 references

canonical SMILES

OC=1N=C2C=CC=CC2=C3OC(C)(C)C4C5OC=6N=C7C(OC)=C(OC)C=CC7=C(OC)C6C5C4C13

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isomeric SMILES

COc1ccc2c(OC)c3c(nc2c1OC)O[C@H]1[C@@H]3[C@H]2c3c(O)nc4ccccc4c3OC(C)(C)[C@@H]12

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found in taxon

Haplophyllum griffithianum

1 reference

stated in

Obtusifolin ? A new coumarin from roots of Haplophyllum obtusifolium

Identifiers

InChI

InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m0/s1

0 references

InChIKey

ZTSCGHFGGQONGE-RFQYRHQWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105383145)

(1R,2R,14S,15R)-4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.02,14.03,12.05,10.018,27.019,24]heptacosa-3,5(10),6,8,11,18(27),19,21,23-nonaen-26-one

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