(Q104944358)

English

[(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

364.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₄O₄

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canonical SMILES

O=C(C=1C=CC=CC1)C2=C(O)C=C3OC4(C)CCC5C4C(C3=C2O)C5(C)C

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isomeric SMILES

CC1(C)[C@H]2c3c(cc(O)c(C(=O)c4ccccc4)c3O)O[C@@]3(C)CC[C@@H]1[C@@H]23

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found in taxon

Clusia multiflora

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stated in

Citrans and cyclols from Clusia multiflora☆

Identifiers

InChI

InChI=1S/C23H24O4/c1-22(2)13-9-10-23(3)18(13)19(22)17-15(27-23)11-14(24)16(21(17)26)20(25)12-7-5-4-6-8-12/h4-8,11,13,18-19,24,26H,9-10H2,1-3H3/t13-,18+,19+,23+/m1/s1

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InChIKey

BQIVXBUAUNSLAJ-KKIPCARGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQIVXBUAUNSLAJ-KKIPCARGSA-N

1 reference

(Q104944358)

[(1S,9S,12R,14S)-3,5-dihydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-trien-4-yl]-phenylmethanone

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Identifiers

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