(Q104936999)

English

[(1R,2S,5S,6S,9S,10R,12S,13R,16S)-6,7,13-trimethyl-16-(methylamino)-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6,7,13-Trimethyl-16-(methylamino)-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate

1 reference

based on heuristic

inferred from SMILES

mass

454.355928712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆N₂O₂

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canonical SMILES

O=C(OC1CC2C(CC=C3CC(NC)CCC32C)C4CCC5C(N(C)CC154)C)CC=C(C)C

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isomeric SMILES

CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](OC(=O)CC=C(C)C)C[C@@H]32)C1

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found in taxon

Holarrhena floribunda

1 reference

stated in

Holarrhesin, ein neues Steroidalkaloid aus Holarrhena floribunda

Funtumia elastica

1 reference

stated in

Isolation, characterization and antiplasmodial activity of steroidal alkaloids from Funtumia elastica (Preuss) Stapf

Identifiers

InChI

InChI=1S/C29H46N2O2/c1-18(2)7-12-27(32)33-26-16-25-22(9-8-20-15-21(30-5)13-14-28(20,25)4)24-11-10-23-19(3)31(6)17-29(23,24)26/h7-8,19,21-26,30H,9-17H2,1-6H3/t19-,21-,22-,23+,24-,25-,26+,28-,29+/m0/s1

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InChIKey

BJEAHAPLWWPUQZ-XGHHNQJOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJEAHAPLWWPUQZ-XGHHNQJOSA-N

1 reference

(Q104936999)

[(1R,2S,5S,6S,9S,10R,12S,13R,16S)-6,7,13-trimethyl-16-(methylamino)-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate

Statements

Identifiers

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