(Q105034327)

English

Methyl 3-[9,10-diacetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

group of stereoisomers with the chemical formula C₃₁H₃₆O₁₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

632.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₁₄

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canonical SMILES

O=C(OC)C=CC1(C)C2C(OC(=O)C)C(OC(=O)C)C3(C)C(OC(=O)C4OC43C2(C)C5(O)OC(C(=O)C51O)(C)C)C6=COC=C6

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found in taxon

Harrisonia perforata

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stated in

Chemical constituents from fruits of Harrisonia perforata

Identifiers

InChI

InChI=1S/C31H36O14/c1-14(32)41-18-19-26(5,11-9-17(34)39-8)29(37)24(36)25(3,4)45-31(29,38)28(19,7)30-22(44-30)23(35)43-20(16-10-12-40-13-16)27(30,6)21(18)42-15(2)33/h9-13,18-22,37-38H,1-8H3

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InChIKey

HVLGSQRFTUKQIK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVLGSQRFTUKQIK-UHFFFAOYSA-N

(Q105034327)

Methyl 3-[9,10-diacetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

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Identifiers

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