(Q104911332)

English

Spirangien O

chemical compound

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Statements

type of chemical entity

0 references

(6E)-15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethyloct-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

1 reference

based on heuristic

inferred from SMILES

15-Hydroxy-16-[11-hydroxy-2-(3-hydroxy-4,6-dimethyloct-6-en-2-yl)-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

1 reference

based on heuristic

inferred from SMILES

702.470683692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-15-hydroxy-16-[(2R,3S,4R,6R,8S,9S,11R)-11-hydroxy-2-[(E,2R,3R,4R)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₆O₉

0 references

canonical SMILES

O=C(O)CC(OC)C=CC=CC=CC=CC=CC(C)C(O)C(C)C1OC2(OC(C(C)C(O)C(C)CC(=CC)C)C(C)C(OC)C2)C(O)CC1C

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isomeric SMILES

C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@@H](C)C[C@H]2O

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Sorangium cellulosum

1 reference

Spirangien Derivatives from the MyxobacteriumSorangium cellulosum: Isolation, Structure Elucidation, and Biological Activity

Identifiers

InChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12-,16-14+,17-15+,20-18-,21-19-,26-11+/t27-,28-,29-,30+,31-,32+,33+,34+,35+,37-,38-,39-,40-,41+/m0/s1

0 references

AFMLAWKHRYYCHM-WFLPEEADSA-N

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mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12-,16-14+,17-15+,20-18-,21-19-,26-11+/t27-,28-,29-,30+,31-,32+,33+,34+,35+,37-,38-,39-,40-,41+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AFMLAWKHRYYCHM-WFLPEEADSA-N

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