(Q104936209)

English

[(1S,2S,3S,4R,7S,8E,12S,13S,14S,16R,17S)-2,14-diacetyloxy-9-(chloromethyl)-3,16,17-trihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2,14-Diacetyloxy-9-(chloromethyl)-3,16,17-trihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

560.202439684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₇ClO₁₁

0 references

canonical SMILES

O=C(OC1CCC(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(O)(C)C(O)CC(OC(=O)C)C13C)CCl)C

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isomeric SMILES

CC(=O)O[C@H]1CC/C(CCl)=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[C@@H](O)[C@@]2(C)O

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found in taxon

Briareum stechei

1 reference

stated in

New Polyoxygenated Briaranes from OctocoralsBriareum excavatumandEllisella robusta

Identifiers

InChI

InChI=1S/C26H37ClO11/c1-12-23(32)38-20-9-16(11-27)7-8-18(35-13(2)28)24(5)19(36-14(3)29)10-17(31)25(6,33)21(24)22(26(12,20)34)37-15(4)30/h9,12,17-22,31,33-34H,7-8,10-11H2,1-6H3/b16-9+/t12-,17+,18-,19-,20-,21+,22-,24-,25+,26-/m0/s1

0 references

InChIKey

BHSSUVKITPVOAV-NHNDEYFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHSSUVKITPVOAV-NHNDEYFXSA-N

(Q104936209)

[(1S,2S,3S,4R,7S,8E,12S,13S,14S,16R,17S)-2,14-diacetyloxy-9-(chloromethyl)-3,16,17-trihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

Statements

Identifiers

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