(Q104987341)

English

2-[(1S,3S,10aR)-4a-[[(1R,3R,10aS)-3-(carboxymethyl)-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]disulfanyl]-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid

group of stereoisomers with the chemical formula C₃₆H₃₈O₁₄S₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

758.170297896 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₈O₁₄S₂

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canonical SMILES

O=C(O)CC1OC(CCC)C2(O)C(=O)C=3C(O)=CC=CC3C(=O)C2(SSC45C(=O)C=6C=CC=C(O)C6C(=O)C5(O)C(OC(CC(=O)O)C4)CCC)C1

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isomeric SMILES

CCC[C@@H]1O[C@@H](CC(=O)O)CC2(SSC34C[C@@H](CC(=O)O)O[C@H](CCC)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]12O

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found in taxon

Streptomyces

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stated in

Frenolicins C-G, pyranonaphthoquinones from Streptomyces sp. RM-4-15

Identifiers

InChI

InChI=1S/C36H38O14S2/c1-3-7-23-35(47)31(45)27-19(9-5-11-21(27)37)29(43)33(35,15-17(49-23)13-25(39)40)51-52-34-16-18(14-26(41)42)50-24(8-4-2)36(34,48)32(46)28-20(30(34)44)10-6-12-22(28)38/h5-6,9-12,17-18,23-24,37-38,47-48H,3-4,7-8,13-16H2,1-2H3,(H,39,40)(H,41,42)/t17-,18+,23-,24+,33?,34?,35+,36-

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InChIKey

DRDKNATUDGQXGL-UNSFVVMRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DRDKNATUDGQXGL-UNSFVVMRSA-N

1 reference

(Q104987341)

2-[(1S,3S,10aR)-4a-[[(1R,3R,10aS)-3-(carboxymethyl)-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]disulfanyl]-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid

Statements

Identifiers

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