(Q104246301)

English

(1S,3R,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

1 reference

670.235259804 dalton

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1 reference

C₃₂H₄₇BrO₁₀

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canonical SMILES

O=C1OC2CC3(OC(C(C)CCC(OC)C4=CC(O)=CC=C4Br)C2C)OC(O)(CC(=O)OC(C1)C(O)C)C(C)CC3(C)C

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isomeric SMILES

CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)ccc1Br

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found in taxon

Gracilaria coronopifolia

4 references

stated in

Aplysiatoxin and debromoaplysiatoxin as the causative agents of a red alga Gracilaria coronopifolia poisoning in Hawaii.

stated in

Malyngamides M and N from the Hawaiian Red Alga Gracilaria coronopifolia

stated in

Manauealides, some of the causative agents of a red alga Gracilaria coronopifolia poisoning in Hawaii

stated in

Absolute stereochemistries of the aplysiatoxins and oscillatoxin A

Lyngbya majuscula

1 reference

stated in

Dolastatin 3 and two novel cyclic peptides from a palauan collection of Lyngbya majuscula

Identifiers

InChI

InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26-,29+,31-,32-/m0/s1

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InChIKey

RHJPBGWFGOAEID-BEDNPZBZSA-N

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CAS Registry Number

52659-57-1

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHJPBGWFGOAEID-BEDNPZBZSA-N

SureChEMBL ID

SCHEMBL2020276

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHJPBGWFGOAEID-BEDNPZBZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

RHJPBGWFGOAEID-BEDNPZBZSA-N

(Q104246301)

(1S,3R,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

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