(Q105350241)

English

3-[(1R,3S,4S,8S,10R,11R,14S,15S)-11,15-dimethyl-5-methylidene-14-[(E,2S)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[11,15-Dimethyl-5-methylidene-14-(6-methyl-7-oxohept-5-en-2-yl)-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

482.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R,5E)-6-methyl-7-oxohept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.0¹,³.0⁴,⁸.0¹¹,¹⁵]heptadecan-3-yl]propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₅

0 references

canonical SMILES

O=CC(=CCCC(C)C1CCC2(C)C3CC4OC(=O)C(=C)C4C5(CCC(=O)O)CC35CCC12C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@H]3[C@@]4(C)CC[C@@H]([C@@H](C)CC/C=C(\C)C=O)[C@]4(C)CC[C@@]34C[C@@]4(CCC(=O)O)[C@@H]12

0 references

found in taxon

Gardenia sootepensis

1 reference

stated in

Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.

Identifiers

InChI

InChI=1S/C30H42O5/c1-18(16-31)7-6-8-19(2)21-9-11-28(5)23-15-22-25(20(3)26(34)35-22)30(12-10-24(32)33)17-29(23,30)14-13-27(21,28)4/h7,16,19,21-23,25H,3,6,8-15,17H2,1-2,4-5H3,(H,32,33)/b18-7+/t19-,21-,22-,23+,25-,27-,28+,29+,30-/m0/s1

0 references

InChIKey

YLQIANWVVVMWMO-WOBMAQFHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLQIANWVVVMWMO-WOBMAQFHSA-N

(Q105350241)

3-[(1R,3S,4S,8S,10R,11R,14S,15S)-11,15-dimethyl-5-methylidene-14-[(E,2S)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoic acid

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