(Q105010293)

English

(1S,3S,4S,5R,9R,13R,14S)-13-hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-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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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

578.309097672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₁₀

0 references

canonical SMILES

O=C1OC2CC3(OC(C(C)CCC(OC)C=4C=CC=C(O)C4)C2C)OC(O)(CC(=O)OC(CO)C1)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](CO)OC(=O)C[C@@](O)(O2)[C@@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1

0 references

found in taxon

Lyngbya majuscula

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19-,20-,23+,24-,25+,28-,30+,31-/m0/s1

0 references

InChIKey

GKTXURNRIDXUNG-NOTKKQJRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKTXURNRIDXUNG-NOTKKQJRSA-N

(Q105010293)

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

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