(Q105154622)

English

[(3aR,5S,6R,9Z,13E,15S,15aR)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-15-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

392.219888744 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,5R,6S,9E,13E,15S,15aR)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Cleistopholis patens

1 reference

stated in

Antibacterial, partially acetylated oligorhamnosides from Cleistopholis patens

Sarcophyton crassocaule

1 reference

stated in

Crassolides A-F, cembranoids with a trans-fused lactone from the soft coral Sarcophyton crassocaule

Identifiers

InChI

InChI=1S/C22H32O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(25)28-20)12-18(24)22(5,26)11-7-9-13/h9-10,17-20,24,26H,3,6-8,11-12H2,1-2,4-5H3/b13-9-,14-10+/t17-,18+,19+,20-,22-/m1/s1

0 references

InChIKey

LOBTUTHTMBAWQV-XGMFOMOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOBTUTHTMBAWQV-XGMFOMOQSA-N

(Q105154622)

[(3aR,5S,6R,9Z,13E,15S,15aR)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate

Statements

Identifiers

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