(Q105208875)

English

Methyl 2-(9,18,30-trihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,25(37)-trien-32-ylidene)propanoate

group of stereoisomers with the chemical formula C₄₀H₄₄O₁₄

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Statements

instance of

group of stereoisomers

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1 reference

748.273106088 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₄O₁₄

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canonical SMILES

O=C1OCC2(O)C3CC3C4(C)C5CC6=C7C(C(C(=O)C(O)C7(C)C8CC68)=C(C(=O)OC)C)C95OC(=O)C(=C9CC24)COC(=O)CC(O)C(=O)OCC(=C1)C

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found in taxon

Chloranthus japonicus

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stated in

Symmetric sesquiterpene dimer from Chloranthus serratus

Chloranthus serratus

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stated in

Symmetric sesquiterpene dimer from Chloranthus serratus

Identifiers

InChI

InChI=1S/C40H44O14/c1-15-6-27(42)53-14-39(49)23-9-22(23)37(3)25(39)10-21-19(13-51-28(43)11-24(41)36(48)52-12-15)35(47)54-40(21)26(37)8-18-17-7-20(17)38(4)30(18)31(40)29(32(44)33(38)45)16(2)34(46)50-5/h6,17,20,22-26,31,33,41,45,49H,7-14H2,1-5H3

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InChIKey

PHCXHKSHMYZRPK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PHCXHKSHMYZRPK-UHFFFAOYSA-N

(Q105208875)

Methyl 2-(9,18,30-trihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.125,29.01,23.04,34.019,21.022,36.026,28.033,37]heptatriaconta-4(34),13,25(37)-trien-32-ylidene)propanoate

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Identifiers

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