(Q105166557)

English

(3S,5S,8Z,12S,13R,16S)-16-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(8Z)-16-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.0³,⁵]hexadeca-1(15),8-dien-2-one

1 reference

based on heuristic

inferred from SMILES

16-Hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,8E,12S,13R,16R)-16-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C1C2=CCC(C)C(C)(CCC(=CCCC3(OC13)C)C)C2(O)C

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isomeric SMILES

C/C1=C/CC[C@]2(C)O[C@@H]2C(=O)C2=CC[C@@H](C)[C@](C)(CC1)[C@]2(C)O

0 references

found in taxon

Phoma

2 references

stated in

Phomactin E, F, and G: new phomactin-group PAF antagonists from a marine fungus Phoma sp

stated in

Phomactin E, F, and G: new phomactin-group PAF antagonists from a marine fungus Phoma sp

Identifiers

InChI

InChI=1S/C20H30O3/c1-13-7-6-11-19(4)17(23-19)16(21)15-9-8-14(2)18(3,12-10-13)20(15,5)22/h7,9,14,17,22H,6,8,10-12H2,1-5H3/b13-7-/t14-,17-,18+,19+,20-/m1/s1

0 references

InChIKey

MLDXYOSNGPZNQW-LNLCPZQUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLDXYOSNGPZNQW-LNLCPZQUSA-N

ChEBI ID

220565

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H30O3/c1-13-7-6-11-19(4)17(23-19)16(21)15-9-8-14(2)18(3,12-10-13)20(15,5)22/h7,9,14,17,22H,6,8,10-12H2,1-5H3/b13-7-/t14-,17-,18+,19+,20-/m1/s1

1 reference

Natural Product Atlas ID

NPA020507

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MLDXYOSNGPZNQW-LNLCPZQUSA-N

(Q105166557)

(3S,5S,8Z,12S,13R,16S)-16-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one

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Identifiers

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