(Q105225044)

English

(3R,5S,8R,9S,10S,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-1H-isoindole]-16-ol

chemical compound

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instance of

type of chemical entity

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464.376664156 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈N₂O

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canonical SMILES

OC1CC2C3CCC4CC5(C=6C=CC=CC6CN5C)CCC4(C)C3CCC2(C)C1C(N(C)C)C

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isomeric SMILES

C[C@@H]([C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1CN5C)N(C)C

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found in taxon

Pachysandra procumbens

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stated in

Activity-guided isolation of steroidal alkaloid antiestrogen-binding site inhibitors from Pachysandra procumbens

Identifiers

InChI

InChI=1S/C31H48N2O/c1-20(32(4)5)28-27(34)17-26-23-12-11-22-18-31(24-10-8-7-9-21(24)19-33(31)6)16-15-29(22,2)25(23)13-14-30(26,28)3/h7-10,20,22-23,25-28,34H,11-19H2,1-6H3/t20-,22-,23+,25-,26-,27-,28-,29-,30-,31+/m0/s1

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InChIKey

QOPCQMMKSJQFBG-XYGVGCQLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QOPCQMMKSJQFBG-XYGVGCQLSA-N

(Q105225044)

(3R,5S,8R,9S,10S,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-1H-isoindole]-16-ol

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Identifiers

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