(Q104998476)

English

[(1S,2S,3R,4R,5R,7S,8R,11S,12R,14R,17S)-12-acetyloxy-14-hydroxy-5,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(12-Acetyloxy-14-hydroxy-5,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate

1 reference

based on heuristic

inferred from SMILES

mass

464.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₇

0 references

canonical SMILES

O=C(OC1CC(O)C(=C)CC2OC3C4C(CC(C)C(OC(=O)CCC)C24)C(C)COC13C)C

0 references

isomeric SMILES

C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(=O)CCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(C)=O)C[C@H]1O

0 references

found in taxon

Briareum asbestinum

2 references

stated in

New diterpenes from the common Caribbean gorgonian Briareum asbestinum (Pallus)

stated in

The asbestinins, a novel class of diterpenes from the gorgonian Briareum asbestinum

Identifiers

InChI

InChI=1S/C26H40O7/c1-7-8-21(29)33-24-14(3)9-17-15(4)12-30-26(6)20(31-16(5)27)11-18(28)13(2)10-19-23(24)22(17)25(26)32-19/h14-15,17-20,22-25,28H,2,7-12H2,1,3-6H3/t14-,15+,17+,18-,19+,20-,22+,23+,24-,25+,26+/m1/s1

0 references

InChIKey

FNSCUUCSRQQAPH-VQDIKFBKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNSCUUCSRQQAPH-VQDIKFBKSA-N

1 reference

(Q104998476)

[(1S,2S,3R,4R,5R,7S,8R,11S,12R,14R,17S)-12-acetyloxy-14-hydroxy-5,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate

Statements

Identifiers

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