(Q105213922)

English

(1R,3R,5S,8E,12E,15S)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,5S,8Z,12E,15S)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one

1 reference

1 reference

C₂₀H₂₈O₄

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canonical SMILES

O=C1OC2CC(=CCCC(=CCCC3(OC3CC2C1=C)CO)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12

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found in taxon

Sinularia gibberosa

2 references

stated in

Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa

stated in

Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa

Lobophytum crassum

1 reference

stated in

Structural and stereochemical studies of alpha-methylene-gamma-lactone-bearing cembrane diterpenoids from a south china sea soft coral Lobophytum crassum

Lobophytum durum

1 reference

stated in

Anti-inflammatory cembranolides from the soft coral Lobophytum durum

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-6-4-7-14(2)10-17-16(15(3)19(22)23-17)11-18-20(12-21,24-18)9-5-8-13/h7-8,16-18,21H,3-6,9-12H2,1-2H3/b13-8+,14-7+/t16-,17+,18-,20+/m1/s1

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InChIKey

PRUIDJLINDRLON-LDRBAHJUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRUIDJLINDRLON-LDRBAHJUSA-N

1 reference

(Q105213922)

(1R,3R,5S,8E,12E,15S)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one

Statements

Identifiers

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