(Q105135751)

English

(1'S,2R,2'S,3'S,4'R,7'S,8'Z,10'E,12'S,13'S,14'R,15'R,16'R)-12',14',15',16'-tetrakis(acetyloxy)-3'-hydroxy-9'-(methoxymethyl)-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-2'-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2,14,15,16-Tetraacetyloxy-3-hydroxy-9-(methoxymethyl)-4,13-dimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-diene-17,2'-oxirane]-12-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

652.23672058 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,3S,4R,7S,8Z,10E,12S,13S,14R,15R,16R,17R)-2,14,15,16-tetraacetyloxy-3-hydroxy-9-(methoxymethyl)-4,13-dimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-diene-17,2'-oxirane]-12-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,3R,4R,7S,8Z,10E,12S,13S,14R,15R,16R,17R)-2,14,15,16-tetraacetyloxy-3-hydroxy-9-(methoxymethyl)-4,13-dimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadeca-8,10-diene-17,2'-oxirane]-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₀O₁₅

0 references

canonical SMILES

O=C(OC1C=CC(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C4(OC4)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C13C)COC)C

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isomeric SMILES

COCC1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@@](C)([C@@H](OC(C)=O)/C=C/1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]21CO1

0 references

found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C31H40O15/c1-14-28(37)46-22-11-20(12-39-8)9-10-21(41-15(2)32)29(7)24(27(31(14,22)38)45-19(6)36)30(13-40-30)26(44-18(5)35)23(42-16(3)33)25(29)43-17(4)34/h9-11,14,21-27,38H,12-13H2,1-8H3/b10-9+,20-11+/t14-,21-,22-,23+,24+,25-,26+,27-,29+,30-,31-/m0/s1

(Q105135751)

(1'S,2R,2'S,3'S,4'R,7'S,8'Z,10'E,12'S,13'S,14'R,15'R,16'R)-12',14',15',16'-tetrakis(acetyloxy)-3'-hydroxy-9'-(methoxymethyl)-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-2'-yl acetate

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