(Q105310067)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(10'E)-12',14',15'-tris(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

580.215591212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₃

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@]2(CO2)[C@@H]2[C@H](OC(C)=O)[C@@]3(O)[C@H](/C=C(CO)\C=C\[C@H](OC(C)=O)[C@@]2(C)[C@H]1OC(C)=O)OC(=O)[C@@H]3C

0 references

found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C28H36O13/c1-13-25(34)41-21-9-18(11-29)7-8-20(38-15(3)31)26(6)22(24(28(13,21)35)40-17(5)33)27(12-36-27)10-19(37-14(2)30)23(26)39-16(4)32/h7-9,13,19-24,29,35H,10-12H2,1-6H3/b8-7+,18-9+/t13-,19-,20-,21-,22+,23-,24-,26+,27-,28-/m0/s1

0 references

InChIKey

WPMYQORREBMMQN-FPBZEBQASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WPMYQORREBMMQN-FPBZEBQASA-N

(Q105310067)

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

Statements

Identifiers

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