(Q63392066)

English

(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

chemical compound

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instance of

type of chemical entity

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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,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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

2 references

based on heuristic

inferred from InChIKey

1 reference

(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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₇

0 references

canonical SMILES

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

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isomeric SMILES

C/C/1=C\2/[C@H]3[C@@H](C(=O)O2)[C@@](O[C@H]3/C(=C\C[C@H]4C(=C(C(=O)O[C@@]4(CC1)C)OC)C(C)C)/C)(C)O

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found in taxon

Stachybotrys chartarum

2 references

stated in

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

stated in

Atranones: Novel diterpenoids from the toxigenic mold Stachybotrys atra

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-/m0/s1

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InChIKey

BDGOANHBKYFDGC-KTGRICDKSA-N

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PubChem CID

137628342

1 reference

matched by identifier from

InChIKey

BDGOANHBKYFDGC-KTGRICDKSA-N

1 reference

MassBank accession ID

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(Q63392066)

(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

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