(Q105263824)

English

[(3S,4R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

group of stereoisomers with the chemical formula C₃₀H₄₈N₂O₃

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instance of

group of stereoisomers

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1 reference

484.366493396 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈N₂O₃

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canonical SMILES

CC(=O)OC1C(NC(=O)C=C(C)C)CCC2(C)C3CCC4(C)C(C(C)N(C)C)=CCC4C3CCC12

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isomeric SMILES

CC(=O)O[C@@H]1C2CC[C@H]3C4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1NC(=O)C=C(C)C

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found in taxon

Sarcococca saligna

1 reference

stated in

3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)

Identifiers

InChI

InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23?,24-,25?,26-,28+,29+,30+/m0/s1

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InChIKey

SYWAOYCXRQDRLP-VLNZMSLLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SYWAOYCXRQDRLP-VLNZMSLLSA-N

1 reference

(Q105263824)

[(3S,4R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

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