(Q105153697)

English

(1R,2R,13R,16S,17S,19R,20R,22R,25S,27S)-1,2,24,24-tetramethyl-9-(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol

chemical compound

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instance of

type of chemical entity

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subclass of

1,2,24,24-Tetramethyl-9-(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol

1 reference

based on heuristic

inferred from SMILES

mass

587.361073668 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₃₇H₄₉NO₅

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canonical SMILES

OC12CCC3CC=4C=5C(=CC=CC5CC=C(C)C)NC4C3(C)C2(C)CCC6OC7C(OC(OC7(C)C)C=C(C)C)C8OC681

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isomeric SMILES

CC(C)=CCc1cccc2[nH]c3c(c12)C[C@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]2(C)[C@]31C

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found in taxon

Albophoma yamanashiensis

1 reference

stated in

Terpendoles, novel ACAT inhibitors produced by Albophoma yamanashiensis. III. Production, isolation and structure elucidation of new components

Identifiers

InChI

InChI=1S/C37H49NO5/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(39)34(7,35(23,8)30(24)38-25)16-15-26-37(36)32(43-37)29-31(40-26)33(5,6)42-27(41-29)18-21(3)4/h9-12,18,23,26-27,29,31-32,38-39H,13-17,19H2,1-8H3/t23-,26+,27-,29-,31+,32-,34-,35+,36+,37+/m1/s1

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InChIKey

LLRYILBJBZFIRA-AMUXUUMESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105153697)

(1R,2R,13R,16S,17S,19R,20R,22R,25S,27S)-1,2,24,24-tetramethyl-9-(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol

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