(Q104924035)

English

(1E,5S,10R,12Z,14S,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

16-hydroxy-9-isopropyl-8-methoxy-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1E,5S,10R,12Z,14R,16R,17S,20R)-16-hydroxy-9-isopropyl-8-methoxy-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1E,5R,10S,12Z,14R,16S,17R,20S)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1E,5S,10R,12E,14R,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione

1 reference

1 reference

C₂₅H₃₄O₇

0 references

canonical SMILES

O=C1OC2(C)CCC(=C3OC(=O)C4C3C(OC4(O)C)C(=CCC2C(=C1OC)C(C)C)C)C

0 references

isomeric SMILES

COC1=C(C(C)C)[C@H]2C/C=C(/C)[C@H]3O[C@@](C)(O)[C@H]4C(=O)O/C(=C(\C)CC[C@]2(C)OC1=O)[C@@H]34

0 references

found in taxon

Stachybotrys chartarum

1 reference

stated in

Atranones A-G, from the toxigenic mold Stachybotrys chartarum.

Identifiers

InChI

InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20-,24+,25-/m1/s1

0 references

InChIKey

BDGOANHBKYFDGC-MEVSLOLKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BDGOANHBKYFDGC-MEVSLOLKSA-N

(Q104924035)

(1E,5S,10R,12Z,14S,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione

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