(Q105158405)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[15-[1-[5-Acetyloxy-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

546.35565394 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₇

0 references

canonical SMILES

O=C(OC1OC(CC1C(O)(C)C)C(C)C2CCC3C4CC5OC65CC(OC(=O)C)CCC6(C)C4CCC23C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@H]4C[C@@H](C(C)(C)O)[C@H](OC(C)=O)O4)[C@@H]3C[C@H]3O[C@]32C1

0 references

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/C32H50O7/c1-17(26-15-25(29(4,5)35)28(38-26)37-19(3)34)22-8-9-23-21-14-27-32(39-27)16-20(36-18(2)33)10-13-31(32,7)24(21)11-12-30(22,23)6/h17,20-28,35H,8-16H2,1-7H3/t17-,20-,21-,22+,23-,24-,25+,26+,27+,28+,30+,31+,32+/m0/s1

0 references

InChIKey

LWMRLUIXRFFTAX-BJHPLNJESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWMRLUIXRFFTAX-BJHPLNJESA-N

(Q105158405)

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

Statements

Identifiers

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