(Q105223308)

English

methyl (2R)-2-hydroxy-2-[(1S,2R,4S,5S,6S,10R,11S,12R,13R,14R,15R,17S,18S)-4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-hydroxy-2-[4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

662.257456024 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S)-2-hydroxy-2-[(1R,2S,4R,5S,6S,10R,11R,12R,13R,14S,15R,17S,18S)-4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₂O₁₄

0 references

canonical SMILES

O=C(OC1CC2C(O)(C(OC(=O)C)C3C(OC(=O)C)C4(C)CC3(O)C2(C)C4C(O)C(=O)OC)C5CC(=O)OC(C6=COC=C6)C15C)C

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@@H]1[C@@]2(C)[C@H]3C[C@H](OC(C)=O)[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@H]4[C@@]3(O)[C@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@]1(C)C[C@]32O

0 references

found in taxon

Xylocarpus granatum

1 reference

stated in

Polyhydroxylated phragmalins from the fruit of a Chinese mangrove, Xylocarpus granatum

Identifiers

InChI

InChI=1S/C33H42O14/c1-14(34)44-20-10-19-31(6)24(23(38)28(39)42-7)29(4)13-32(31,40)22(26(29)45-15(2)35)27(46-16(3)36)33(19,41)18-11-21(37)47-25(30(18,20)5)17-8-9-43-12-17/h8-9,12,18-20,22-27,38,40-41H,10-11,13H2,1-7H3/t18-,19-,20+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32+,33+/m1/s1

0 references

InChIKey

QKTBSFGBXSKROA-QZKGHKDLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

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