(Q104920610)

English

methyl (1S,4S,5R,9R,12S,13R,14S)-12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

406.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₆

0 references

canonical SMILES

O=C(OC1C=C2C3(OC(CO)C1(C)C3)CCC4C(C(=O)OC)(C)CCCC24C)C

0 references

isomeric SMILES

COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H](OC(C)=O)[C@@]4(C)C[C@]3(CC[C@H]12)O[C@@H]4CO

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found in taxon

Helianthus hirsutus

1 reference

stated in

Ent-pimaranes, ent-kauranes, Heliangolides and other Constituents of three Helianthus species

Identifiers

InChI

InChI=1S/C23H34O6/c1-14(25)28-17-11-16-20(2)8-6-9-21(3,19(26)27-5)15(20)7-10-23(16)13-22(17,4)18(12-24)29-23/h11,15,17-18,24H,6-10,12-13H2,1-5H3/t15-,17-,18+,20+,21+,22+,23-/m0/s1

0 references

InChIKey

AXKGKFUYPFXADG-PBVLVACNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXKGKFUYPFXADG-PBVLVACNSA-N

(Q104920610)

methyl (1S,4S,5R,9R,12S,13R,14S)-12-acetyloxy-14-(hydroxymethyl)-5,9,13-trimethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate

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Identifiers

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