(Q105384387)

English

Methyl 2-(18,25,30-trihydroxy-14,22,29-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),13,33(37)-trien-32-ylidene)propanoate

group of stereoisomers with the chemical formula C₄₀H₄₄O₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

748.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₄O₁₄

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canonical SMILES

O=C(OC)C(=C1C(=O)C(O)C2(C3=C1C45OC(=O)C6=C5CC7C(O)(COC(=O)C(=CCOC(=O)CCC(=O)OC6)C)C8CC8C7(C)C4CC3(O)C9CC92)C)C

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found in taxon

Chloranthus henryi

1 reference

stated in

Mono- and Di-sesquiterpenoids from Chloranthus spicatus

Identifiers

InChI

InChI=1S/C40H44O14/c1-16-8-9-51-26(41)6-7-27(42)52-14-18-19-12-24-36(3,20-10-23(20)39(24,49)15-53-33(16)45)25-13-38(48)22-11-21(22)37(4)31(38)29(40(19,25)54-35(18)47)28(30(43)32(37)44)17(2)34(46)50-5/h8,20-25,32,44,48-49H,6-7,9-15H2,1-5H3

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InChIKey

ZVKZZRBORSKZLF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZVKZZRBORSKZLF-UHFFFAOYSA-N

(Q105384387)

Methyl 2-(18,25,30-trihydroxy-14,22,29-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),13,33(37)-trien-32-ylidene)propanoate

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Identifiers

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