(Q105258589)

English

[(3S,6S,7S,8S,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),4-dienyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-Benzamido-15-[1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),4-dienyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

578.3719727 dalton

1 reference

1 reference

C₃₅H₅₀N₂O₅

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canonical SMILES

CC(=O)OC1CC2(C)C3CCC4C(O)(C=CC(NC(=O)c5ccccc5)C4(C)CO)CC3=CCC2(C)C1C(C)N(C)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)C=C[C@@]4(O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C

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found in taxon

Buxus balearica

1 reference

stated in

Two steroidal alkaloids from Buxus longifolia

Identifiers

InChI

InChI=1S/C35H50N2O5/c1-22(37(6)7)30-27(42-23(2)39)20-34(5)26-13-14-28-32(3,21-38)29(36-31(40)24-11-9-8-10-12-24)16-18-35(28,41)19-25(26)15-17-33(30,34)4/h8-12,15-16,18,22,26-30,38,41H,13-14,17,19-21H2,1-7H3,(H,36,40)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m0/s1

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InChIKey

SQULXMOMDPJQNT-GFCZYIHWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQULXMOMDPJQNT-GFCZYIHWSA-N

1 reference

(Q105258589)

[(3S,6S,7S,8S,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-3-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),4-dienyl] acetate

Statements

Identifiers

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