(Q105016874)

English

methyl (1S,4S,5S,6S,9R,10R,13R,15S)-6,10-dihydroxy-5,9-dimethyl-15-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 6,10-dihydroxy-5,9-dimethyl-15-(2-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

446.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4S,5S,6S,9R,10R,13R,15S)-6,10-dihydroxy-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₆

0 references

canonical SMILES

O=C(OC1C(=C)C2CCC3(O)C4(C)CCC(O)C(C(=O)OC)(C)C4CCC13C2)C(=CC)C

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isomeric SMILES

C=C1[C@H](OC(=O)/C(C)=C/C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3

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found in taxon

Ichthyothere terminalis

1 reference

stated in

New melampolides, kaurene derivatives and other constituents from Ichthyothere species

Identifiers

InChI

InChI=1S/C26H38O6/c1-7-15(2)21(28)32-20-16(3)17-8-13-26(30)23(4)11-10-19(27)24(5,22(29)31-6)18(23)9-12-25(20,26)14-17/h7,17-20,27,30H,3,8-14H2,1-2,4-6H3/b15-7+/t17-,18+,19+,20+,23-,24+,25+,26-/m1/s1

0 references

InChIKey

GRYOZIZNEBSQBX-YDICEIHXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRYOZIZNEBSQBX-YDICEIHXSA-N

(Q105016874)

methyl (1S,4S,5S,6S,9R,10R,13R,15S)-6,10-dihydroxy-5,9-dimethyl-15-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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