(Q105352810)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

638.221070516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,4R,7S,8Z,10E,12S,13S,14R,15R,16R,17R)-2,14,15,16-tetraacetyloxy-3-hydroxy-9-(hydroxymethyl)-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

[(1S,2S,3S,4R,7S,8E,10E,12S,13S,14R,15R,16R,17R)-2,14,15,16-tetraacetyloxy-3-hydroxy-9-(hydroxymethyl)-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 InChIKey

chemical formula

C₃₀H₃₈O₁₅

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)CO)C

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isomeric SMILES

CC(=O)O[C@H]1/C=C/C(CO)=C\[C@@H]2OC(=O)[C@H](C)[C@]2(O)[C@@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]21CO1

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found in taxon

Junceella juncea

1 reference

stated in

Study on the chemical constituents of the South China Sea gorgonian Junceella juncea

Identifiers

InChI

InChI=1S/C30H38O15/c1-13-27(37)45-21-10-19(11-31)8-9-20(40-14(2)32)28(7)23(26(30(13,21)38)44-18(6)36)29(12-39-29)25(43-17(5)35)22(41-15(3)33)24(28)42-16(4)34/h8-10,13,20-26,31,38H,11-12H2,1-7H3/b9-8+,19-10+/t13-,20-,21-,22+,23-,24-,25+,26-,28+,29-,30+/m0/s1

0 references

InChIKey

YRIFCYVSONYKSX-MGVRKCKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRIFCYVSONYKSX-MGVRKCKRSA-N

(Q105352810)

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

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Identifiers

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