(Q105340733)

English

[(1R,2R,3S,4S,7S,8R,10E,12S,13R,14R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,14-bis(acetyloxy)-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-12-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

524.181310316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,4R,7R,8S,10E,12S,13S,14S)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₆H₃₃ClO₉

0 references

canonical SMILES

O=C(OC1C=CC(=C)C(Cl)C2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(=C)CCC(OC(=O)C)C13C)C

0 references

isomeric SMILES

C=C1/C=C/[C@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)CCC(=C)[C@H]2[C@@H](OC(C)=O)[C@@]2(O)[C@H](C)C(=O)O[C@@H]2[C@@H]1Cl

0 references

found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C26H33ClO9/c1-12-8-10-18(33-15(4)28)25(7)19(34-16(5)29)11-9-13(2)21(27)23-26(32,14(3)24(31)36-23)22(20(12)25)35-17(6)30/h9,11,14,18-23,32H,1-2,8,10H2,3-7H3/b11-9+/t14-,18-,19+,20+,21-,22-,23-,25-,26+/m1/s1

0 references

InChIKey

XRSZLHXKKDYWLK-XEAABYASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRSZLHXKKDYWLK-XEAABYASSA-N

(Q105340733)

[(1R,2R,3S,4S,7S,8R,10E,12S,13R,14R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9,17-dimethylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] acetate

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