(Q105183478)

English

[(1S,2S,3R,4R,7S,8Z,12S,13S,14S)-14-acetyloxy-2,3-dihydroxy-4,9,13-trimethyl-17-methylidene-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

14-(acetyloxy)-2,3-dihydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

450.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₈

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canonical SMILES

O=C(OC1CCC(=CC2OC(=O)C(C)C2(O)C(O)C3C(=C)CCC(OC(=O)C)C13C)C)C

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isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](O)[C@@H]12

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found in taxon

Junceella fragilis

1 reference

stated in

9-O-Deacetylumbraculolide A, a New Diterpenoid from the Gorgonian Junceella fragilis

Identifiers

InChI

InChI=1S/C24H34O8/c1-12-7-9-17(30-15(4)25)23(6)18(31-16(5)26)10-8-13(2)20(23)21(27)24(29)14(3)22(28)32-19(24)11-12/h11,14,17-21,27,29H,2,7-10H2,1,3-6H3/b12-11-/t14-,17-,18-,19-,20+,21-,23-,24-/m0/s1

0 references

InChIKey

NPVBTSAYEICJKJ-YRCNAMJQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPVBTSAYEICJKJ-YRCNAMJQSA-N

1 reference

(Q105183478)

[(1S,2S,3R,4R,7S,8Z,12S,13S,14S)-14-acetyloxy-2,3-dihydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

Statements

Identifiers

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