(Q110159600)

English

methyl (2S,3R,4S,5R,6S,10S,11S,14R)-4,16-dichloro-3,11-dihydroxy-6-(methoxymethyl)-2,6,14-trimethyl-13-oxo-19,21-dioxahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-1(24),15,17,22-tetraene-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

580.163073408 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄Cl₂O₈

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canonical SMILES

O=C(OC)C12CCCC(C)(COC)C2C(Cl)C(O)C3(C4=CC=5C=6OCOC6C=C(Cl)C5C4(C(=O)CC31O)C)C

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isomeric SMILES

COC[C@@]1(C)CCC[C@]2(C(=O)OC)[C@@H]1[C@H](Cl)[C@H](O)[C@]1(C)C3=Cc4c5c(cc(Cl)c4[C@]3(C)C(=O)C[C@]12O)OCO5

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found in taxon

Scytonema

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stated in

Cyanobacterial ent-Sterol-Like Natural Products from a Deviated Ubiquinone Pathway.

Identifiers

InChI

InChI=1S/C29H34Cl2O8/c1-25(12-36-4)7-6-8-28(24(34)37-5)22(25)20(31)23(33)27(3)17-9-14-19(15(30)10-16-21(14)39-13-38-16)26(17,2)18(32)11-29(27,28)35/h9-10,20,22-23,33,35H,6-8,11-13H2,1-5H3/t20-,22+,23-,25+,26-,27-,28+,29-/m0/s1

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InChIKey

SXWRGDXAWWEUSK-HZRZAHPNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXWRGDXAWWEUSK-HZRZAHPNSA-N

1 reference

(Q110159600)

methyl (2S,3R,4S,5R,6S,10S,11S,14R)-4,16-dichloro-3,11-dihydroxy-6-(methoxymethyl)-2,6,14-trimethyl-13-oxo-19,21-dioxahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-1(24),15,17,22-tetraene-10-carboxylate

Statements

Identifiers

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