(Q105120666)

English

(1R,2S,6S,9S,10S,11S,14R,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

431.33994429999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

isoverticine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,6S,9R,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,6R,9S,10S,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

1 reference

based on heuristic

inferred from InChI

(1R,2S,6R,9S,10S,11S,14R,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

1 reference

1 reference

C₂₇H₄₅NO₃

0 references

canonical SMILES

OC1CCC2(C)C(C1)C(O)CC3C4CCC5C(CN6CC(C)CCC6C5(O)C)C4CC32

0 references

isomeric SMILES

C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H]13)[C@]2(C)O

0 references

Identifiers

InChI

InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1

0 references

InChIKey

IUKLSMSEHKDIIP-SHCYMTFHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

IUKLSMSEHKDIIP-SHCYMTFHSA-N

(Q105120666)

(1R,2S,6S,9S,10S,11S,14R,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol

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