(Q105135573)

English

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

chemical compound

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instance of

type of chemical entity

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1 reference

467.2883026519999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

1 reference

based on heuristic

inferred from InChIKey

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₁NO₇

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canonical SMILES

OC1CCC2(COC)CN(CC)C3C4(O)C(OC)C2C13C5CC6C(OC)CC4(O)C5C6OC

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

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Identifiers

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+/m1/s1

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InChIKey

JVBLTQQBEQQLEV-VCDUNCIKSA-N

0 references

PubChem CID

44891362

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JVBLTQQBEQQLEV-VCDUNCIKSA-N

1 reference

(Q105135573)

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

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