(Q105147548)

English

(3aR,5Z,9Z,13E,15aS)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(Hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-dehydroxylpresinularolide B

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C1OC2CC(=CCCC(=CCCC(=CCC2C1=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(CO)=C/C[C@H]12

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found in taxon

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

Sinularia gibberosa

1 reference

stated in

Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa

Identifiers

InChI

InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7-,15-8+,17-10-/t18-,19+/m1/s1

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InChIKey

KXVIJXIRUBWYDB-URBVYLMCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXVIJXIRUBWYDB-URBVYLMCSA-N

(Q105147548)

(3aR,5Z,9Z,13E,15aS)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one

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Identifiers

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