(Q104937943)

English

[(1R,2S,3R,4R,7R,8S,10R,13S,14R,15R,18S)-2,15-diacetyloxy-3-hydroxy-4,10,14-trimethyl-5-oxospiro[6,9-dioxatetracyclo[12.4.0.03,7.08,10]octadecane-18,2'-oxirane]-13-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,15-Diacetyloxy-3-hydroxy-4,10,14-trimethyl-5-oxospiro[6,9-dioxatetracyclo[12.4.0.03,7.08,10]octadecane-18,2'-oxirane]-13-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

524.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₁

0 references

canonical SMILES

O=C(OC1CCC2(OC2C3OC(=O)C(C)C3(O)C(OC(=O)C)C4C5(OC5)CCC(OC(=O)C)C14C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@@]3(CC[C@@H](OC(C)=O)[C@]12C)CO3

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found in taxon

Junceella fragilis

1 reference

stated in

Junceellolides J-L, 11,20-epoxybriaranes from the gorgonian coral Junceella fragilis

Identifiers

InChI

InChI=1S/C26H36O11/c1-12-22(30)36-21-20-23(5,37-20)9-7-16(33-13(2)27)24(6)17(34-14(3)28)8-10-25(11-32-25)18(24)19(26(12,21)31)35-15(4)29/h12,16-21,31H,7-11H2,1-6H3/t12-,16-,17+,18-,19-,20-,21+,23+,24-,25+,26+/m0/s1

0 references

InChIKey

BLEPLMPWNFVRAZ-PRKSRYAFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BLEPLMPWNFVRAZ-PRKSRYAFSA-N

(Q104937943)

[(1R,2S,3R,4R,7R,8S,10R,13S,14R,15R,18S)-2,15-diacetyloxy-3-hydroxy-4,10,14-trimethyl-5-oxospiro[6,9-dioxatetracyclo[12.4.0.03,7.08,10]octadecane-18,2'-oxirane]-13-yl] acetate

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