(Q105203840)

English

(3aR,5R,6R,9E,13E,15S,15aR)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5S,6S,9Z,13E,15R,15aR)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

O=C1OC2C(O)C(=CCCC(=CCCC(O)(CO)C(O)CC2C1=C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Sinularia gibberosa

1 reference

stated in

Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa

Identifiers

InChI

InChI=1S/C20H30O6/c1-12-6-4-8-13(2)17(23)18-15(14(3)19(24)26-18)10-16(22)20(25,11-21)9-5-7-12/h7-8,15-18,21-23,25H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16-,17+,18-,20-/m1/s1

0 references

InChIKey

OZILXJUBBKPMRE-ZNJJXORISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZILXJUBBKPMRE-ZNJJXORISA-N

(Q105203840)

(3aR,5R,6R,9E,13E,15S,15aR)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one

Statements

Identifiers

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