(Q105130617)

English

(1R,3R,4S,11S,12R)-3,4,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,4,11-Trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

1 reference

based on heuristic

inferred from SMILES

mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,4S,7Z,11S,12R)-3,4,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,4S,7E,11S,12R)-3,4,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3S,4R,7E,11R,12S)-3,4,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₅

0 references

canonical SMILES

O=C1OC2(C)CCC(C1=C)CC(O)C(O)(C)CCC=C(C)CCC2O

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isomeric SMILES

C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)[C@@](C)(O)CCC=C(C)CC[C@@H]2O

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found in taxon

Sinularia capillosa

1 reference

stated in

A new cembranolide from the soft coral Sinularia capillosa

Sinularia flexibilis

1 reference

stated in

Sinulaflexiolides A-K, cembrane-type diterpenoids from the chinese soft coral Sinularia flexibilis

Sinularia microclavata

1 reference

stated in

Cytotoxic diterpenoids from the soft coral Sinularia microclavata.

Identifiers

InChI

InChI=1S/C20H32O5/c1-13-6-5-10-19(3,24)17(22)12-15-9-11-20(4,16(21)8-7-13)25-18(23)14(15)2/h6,15-17,21-22,24H,2,5,7-12H2,1,3-4H3/t15-,16+,17-,19+,20-/m1/s1

0 references

InChIKey

JLCJNFREUBTKDT-FPPGBKCQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLCJNFREUBTKDT-FPPGBKCQSA-N

1 reference

(Q105130617)

(1R,3R,4S,11S,12R)-3,4,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13-oxabicyclo[10.3.2]heptadec-7-en-14-one

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