(Q72482722)

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Hupehenine

chemical compound

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instance of

type of chemical entity

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1 reference

(6S,10R,17R,23R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol

1 reference

based on heuristic

inferred from SMILES

mass

415.34502968000004 dalton

1 reference

1 reference

(1R,2R,6R,9S,10R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(1R,2R,6R,9S,10R,11R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(1R,2S,6S,9S,10R,11S,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(1R,2S,6R,9S,10R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(1R,2S,6S,9S,10R,11R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

(1R,2S,6S,9R,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-17,20-diol

1 reference

1 reference

(1R,2S,6R,9S,10R,11R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

(1R,2S,6S,9S,10R,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-17,20-diol

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₅NO₂

0 references

canonical SMILES

CC1CCC2C(C)C3CCC4C(CC5C4CC(O)C4CC(O)CCC45C)C3CN2C1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1

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InChIKey

NEMWYOKGHGSVSC-MSSYMPDSSA-N

1 reference

0 references

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1

(Q72482722)

Hupehenine

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