(Q104946946)

English

[(2R,4R,5S)-4-acetyloxy-5-[(1S,2R,5S,7S,9R,11S,12S,15R,16S)-5-acetyloxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]-2-(2-hydroxypropan-2-yl)hexyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-(acetyloxy)-3-[5-(acetyloxy)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-15-yl]butyl]-3-hydroxy-3-methylbutyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

590.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₈

0 references

canonical SMILES

O=C(OCC(CC(OC(=O)C)C(C)C1CCC2C3CC4OC54CC(OC(=O)C)CCC5(C)C3CCC12C)C(O)(C)C)C

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isomeric SMILES

CC(=O)OC[C@@H](C[C@@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)(C)O

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found in taxon

Lobophytum depressum

1 reference

stated in

Further cembranoid derivatives from the Red Sea soft corals Alcyonium flaccidum and Lobophytum crassum

Identifiers

InChI

InChI=1S/C34H54O8/c1-19(29(41-22(4)37)15-23(31(5,6)38)18-39-20(2)35)26-9-10-27-25-16-30-34(42-30)17-24(40-21(3)36)11-14-33(34,8)28(25)12-13-32(26,27)7/h19,23-30,38H,9-18H2,1-8H3/t19-,23+,24-,25-,26+,27-,28-,29+,30+,32+,33+,34+/m0/s1

0 references

InChIKey

BVVXFOPMAHGKJH-JKVXTMDLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVVXFOPMAHGKJH-JKVXTMDLSA-N

(Q104946946)

[(2R,4R,5S)-4-acetyloxy-5-[(1S,2R,5S,7S,9R,11S,12S,15R,16S)-5-acetyloxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]-2-(2-hydroxypropan-2-yl)hexyl] acetate

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Identifiers

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