(Q105158686)

English

(8R,11R,12S,15S)-11-bromo-12,21-dihydroxy-15-(2-hydroxypropan-2-yl)-4,12-dimethyl-7-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

chemical compound

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instance of

type of chemical entity

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subclass of

(11R,12S,15S)-11-bromo-12,21-dihydroxy-15-(2-hydroxypropan-2-yl)-4,12-dimethyl-7-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

1 reference

based on heuristic

inferred from SMILES

11-Bromo-12,21-dihydroxy-15-(2-hydroxypropan-2-yl)-4,12-dimethyl-7-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

1 reference

based on heuristic

inferred from SMILES

mass

520.182436384 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(8S,11R,12S,15S)-11-bromo-12,21-dihydroxy-15-(2-hydroxypropan-2-yl)-4,12-dimethyl-7-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₇BrO₅

0 references

canonical SMILES

O=C1OC(CCC(O)(C)C(Br)CCC2C(=C)CCC(=C2CC3=CC1=CC=C3O)C)C(O)(C)C

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isomeric SMILES

C=C1CCC(C)=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@H](Br)CC[C@H]12

0 references

found in taxon

Callophycus serratus

2 references

stated in

ChemInform Abstract: Antimalarial Bromophycolides J-Q from the Fijian Red Alga Callophycus serratus.

stated in

Antimalarial bromophycolides J-Q from the Fijian red alga Callophycus serratus

Identifiers

InChI

InChI=1S/C27H37BrO5/c1-16-6-7-17(2)21-15-19-14-18(8-10-22(19)29)25(30)33-24(26(3,4)31)12-13-27(5,32)23(28)11-9-20(16)21/h8,10,14,20,23-24,29,31-32H,1,6-7,9,11-13,15H2,2-5H3/t20-,23-,24+,27+/m1/s1

0 references

InChIKey

LWYZNBXETNJHDW-WFRMBSLRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWYZNBXETNJHDW-WFRMBSLRSA-N

(Q105158686)

(8R,11R,12S,15S)-11-bromo-12,21-dihydroxy-15-(2-hydroxypropan-2-yl)-4,12-dimethyl-7-methylidene-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one

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