(Q125617506)

English

[(1S,2R,8S,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.01,18.02,8.012,16]nonadec-10-en-2-yl] acetate

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

526.2930536839999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂O₇

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canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C4=CCC5C(OC(=O)CCC5(OC(=O)C)C64OC6CC23C)(C)C)C

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isomeric SMILES

CC(=O)O[C@]12CCC(=O)OC(C)(C)[C@@H]1CC=C1[C@]3(C)CC[C@H]([C@H](C)[C@@H]4CC=C(C)C(=O)O4)[C@@]3(C)C[C@H]3O[C@@]132

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found in taxon

Tomophagus

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stated in

Highly Modified Lanostane Triterpenes from Fruiting Bodies of the Basidiomycete Tomophagus sp

Identifiers

InChI

InChI=1S/C31H42O7/c1-17-8-9-21(35-26(17)34)18(2)20-12-14-28(6)23-11-10-22-27(4,5)38-25(33)13-15-30(22,36-19(3)32)31(23)24(37-31)16-29(20,28)7/h8,11,18,20-22,24H,9-10,12-16H2,1-7H3/t18-,20+,21-,22-,24+,28-,29+,30+,31-/m0/s1

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InChIKey

FILLGNMWANUABV-PUVVMPSDSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

FILLGNMWANUABV-PUVVMPSDSA-N

(Q125617506)

[(1S,2R,8S,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.01,18.02,8.012,16]nonadec-10-en-2-yl] acetate

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Identifiers

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