(Q105248181)

English

[(2R,3S)-1-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-3-methyl-1-oxopentan-2-yl] (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carboxylate

group of stereoisomers with the chemical formula C₂₉H₄₉NO₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

539.345817528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₉NO₈

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canonical SMILES

O=C(OC)C(OC(=O)C(OC(=O)C1N(C(=O)C(C)C(O)C(=CCCCCCCC)C)CCC1)C(C)CC)C

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isomeric SMILES

CCCCCCC/C=C(\C)C(O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)OC)[C@@H](C)CC

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found in taxon

Lyngbya majuscula

1 reference

stated in

Tumonoic acids, novel metabolites from a cyanobacterial assemblage of Lyngbya majuscula and Schizothrix calcicola

Identifiers

InChI

InChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24?,25+/m0/s1

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InChIKey

RYWKXTITOBZASH-CKTSFAFJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RYWKXTITOBZASH-CKTSFAFJSA-N

1 reference

Natural Product Atlas ID

NPA016939

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RYWKXTITOBZASH-CKTSFAFJSA-N

(Q105248181)

[(2R,3S)-1-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-3-methyl-1-oxopentan-2-yl] (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carboxylate

Statements

Identifiers

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