(Q104963561)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 3-[11,15-dimethyl-14-(6-methylhept-5-en-2-yl)-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

482.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Tubiferolide methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₄

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canonical SMILES

O=C1OC2CC3C4(C)CCC(C(C)CCC=C(C)C)C4(C)CCC53CC5(CCC(=O)OC)C2C1=C

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isomeric SMILES

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

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found in taxon

Gardenia sootepensis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C31H46O4/c1-19(2)9-8-10-20(3)22-11-13-29(6)24-17-23-26(21(4)27(33)35-23)31(14-12-25(32)34-7)18-30(24,31)16-15-28(22,29)5/h9,20,22-24,26H,4,8,10-18H2,1-3,5-7H3/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m0/s1

0 references

InChIKey

CLKPXYYJFFVZSE-QONCDZDPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLKPXYYJFFVZSE-QONCDZDPSA-N

(Q104963561)

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

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Identifiers

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