(Q104953777)

English

Paecilospirone

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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508.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₅

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canonical SMILES

O=C(C=1C=CC=C2OC3(OCC=4C(O)=CC=CC43)C(CCCCCCC)C(O)C21)CCCCCCCC

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isomeric SMILES

CCCCCCCCC(=O)c1cccc2c1[C@@H](O)[C@@H](CCCCCCC)[C@@]1(OCc3c(O)cccc31)O2

0 references

1 reference

Structure of paecilospirone, a new antibiotic from Paecilomyces.

Identifiers

InChI=1S/C32H44O5/c1-3-5-7-9-11-13-19-27(33)23-16-14-21-29-30(23)31(35)26(17-12-10-8-6-4-2)32(37-29)25-18-15-20-28(34)24(25)22-36-32/h14-16,18,20-21,26,31,34-35H,3-13,17,19,22H2,1-2H3/t26-,31+,32+/m1/s1

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CCRSXYWJZQINJL-GWTOPCPNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C32H44O5/c1-3-5-7-9-11-13-19-27(33)23-16-14-21-29-30(23)31(35)26(17-12-10-8-6-4-2)32(37-29)25-18-15-20-28(34)24(25)22-36-32/h14-16,18,20-21,26,31,34-35H,3-13,17,19,22H2,1-2H3/t26-,31+,32+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CCRSXYWJZQINJL-GWTOPCPNSA-N

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