(Q105183093)

English

[(2R,3R,4aR,12bS)-8,10-dihydroxy-9-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

512.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4aR,12bR)-8,10-dihydroxy-9-[(2S)-1-hydroxy-2-methylbut-3-en-2-yl]-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydro-6-oxatetraphen-3-yl 2-methylpropanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₈

0 references

canonical SMILES

O=C1C=2OC(C)(C)C3CC(OC(=O)C(C)C)C(C)CC3C2C(=O)C4=CC(O)=C(C(O)=C14)C(C=C)(C)CO

0 references

isomeric SMILES

C=C[C@@](C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)[C@H]2C[C@@H](C)[C@H](OC(=O)C(C)C)C[C@H]2C(C)(C)O1

0 references

found in taxon

Streptomyces aculeolatus

1 reference

stated in

Isolation from Streptomyces of a novel naphthoquinone compound, naphthablin, that inhibits Abl oncogene functions

Identifiers

InChI

InChI=1S/C29H36O8/c1-8-29(7,12-30)22-18(31)10-16-20(24(22)33)25(34)26-21(23(16)32)15-9-14(4)19(36-27(35)13(2)3)11-17(15)28(5,6)37-26/h8,10,13-15,17,19,30-31,33H,1,9,11-12H2,2-7H3/t14-,15+,17-,19-,29+/m1/s1

0 references

InChIKey

NPKRLSYRZGLPCT-LJCMUKBKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPKRLSYRZGLPCT-LJCMUKBKSA-N

(Q105183093)

[(2R,3R,4aR,12bS)-8,10-dihydroxy-9-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] 2-methylpropanoate

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