(Q105217772)

English

methyl (2R)-2-[(3S,6R)-6-[(4S)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhexyl]-6-methyldioxan-3-yl]propanoate

chemical compound

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instance of

type of chemical entity

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1 reference

methyl 2-{6-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhexyl]-6-methyl-1,2-dioxan-3-yl}propanoate

1 reference

based on heuristic

inferred from SMILES

mass

408.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S)-2-[(3R,6S)-6-[(4S)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhexyl]-6-methyldioxan-3-yl]propanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₄O₄

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canonical SMILES

O=C(OC)C(C)C1OOC(C)(CCCC(C)CCC2C(=C)CCCC2(C)C)CC1

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isomeric SMILES

C=C1CCCC(C)(C)[C@@H]1CC[C@@H](C)CCC[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC)OO1

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found in taxon

Acarnus levii

1 reference

stated in

Hypoxia-selective antitumor agents: norsesterterpene peroxides from the marine sponge Diacarnus levii preferentially suppress the growth of tumor cells under hypoxic conditions

Diacarnus levii

1 reference

stated in

Hypoxia-selective antitumor agents: norsesterterpene peroxides from the marine sponge Diacarnus levii preferentially suppress the growth of tumor cells under hypoxic conditions

Identifiers

InChI

InChI=1S/C25H44O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h18,20-22H,2,8-17H2,1,3-7H3/t18-,20+,21+,22-,25+/m0/s1

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InChIKey

QBFWTWXSXJFPRL-QYAASCMMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QBFWTWXSXJFPRL-QYAASCMMSA-N

(Q105217772)

methyl (2R)-2-[(3S,6R)-6-[(4S)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhexyl]-6-methyldioxan-3-yl]propanoate

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