(Q105126239)

English

1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7S,8R,10S,13S,14R)-8-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁷.0⁷,¹²]hexadecan-2-yl]propan-1-one

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

1-[(1R,4R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,7S)-8-hydroxy-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]propan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

485.350508984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₇NO₄

0 references

canonical SMILES

O=C(CCC12C3N4CC(CC(O)C45CCCC51)C2(C)CCC3C(C)C)C6(C)COC7(OC6CC7)C

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isomeric SMILES

CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N5C3

0 references

found in taxon

Daphniphyllum subverticillatum

1 reference

stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Identifiers

InChI

InChI=1S/C30H47NO4/c1-18(2)20-8-12-27(4)19-15-23(33)30-11-6-7-21(30)29(27,25(20)31(30)16-19)14-9-22(32)26(3)17-34-28(5)13-10-24(26)35-28/h18-21,23-25,33H,6-17H2,1-5H3/t19-,20-,21+,23-,24+,25+,26+,27+,28-,29+,30+/m1/s1

0 references

InChIKey

JENRSDUHJGGCGW-BMOHLVNYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JENRSDUHJGGCGW-BMOHLVNYSA-N

1 reference

(Q105126239)

1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7S,8R,10S,13S,14R)-8-hydroxy-14-isopropyl-1-methyl-12-azapentacyclo[8.6.0.0²,¹³.0³,⁷.0⁷,¹²]hexadecan-2-yl]propan-1-one

Statements

Identifiers

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