(Q104394618)

English

(3S,4S,6R,8S,10R,12S,14S,15R,16S,17E,19E,21E,23E,25E,27S,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

1 reference

(17E,19E,21E,23E,25E)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

670.392827296 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4R,6R,8R,10S,12S,14R,15R,16R,17E,19E,21E,23E,25E,27R,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1S)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,4S,6S,8R,10S,12S,14S,15R,16S,17E,19E,21E,23E,25E,27R,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1S)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₈O₁₂

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canonical SMILES

O=C1OC(C)C(O)C=CC=CC=CC=CC=C(C)C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C1C(O)CCCCC

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isomeric SMILES

CCCCC[C@@H](O)[C@@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@H](O)[C@H](O)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@@H]1O

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found in taxon

Streptomyces cellulosae

2 references

stated in

Production of new polyene antibiotics by Streptomyces cellulosae after addition of ethyl (Z)-16-phenylhexadec-9-enoate

stated in

Biosynthesis and full NMR assignment of fungichromin, a polyene antibiotic from Streptomyces cellulose

Streptomyces cinnamoneus

1 reference

stated in

Production of fungichromin by streptoverticillium cinnamomeum subsp. cinnamomeum NRRL B-1285

Identifiers

InChI

InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34+/m0/s1

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InChIKey

AGJUUQSLGVCRQA-DXJUKUTQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

Natural Product Atlas ID

NPA021206

1 reference

based on heuristic

inferred from InChIKey

(Q104394618)

(3S,4S,6R,8S,10R,12S,14S,15R,16S,17E,19E,21E,23E,25E,27S,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

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Identifiers

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