(Q104888839)

English

(3S,4aS,6aR,6bS,9S,11aS,11bR)-9-[(1R)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one

1 reference

based on heuristic

inferred from SMILES

mass

427.34502968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aS,6aR,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₅NO₂

0 references

canonical SMILES

O=C1CC2C3C(=C(C)C(CC3)C(C)C4N(C)CC(C)CC4)CC2C5(C)CCC(O)CC15

0 references

isomeric SMILES

CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@H]1[C@@H](C)[C@@H]1CC[C@H](C)CN1C

0 references

found in taxon

Fritillaria imperialis

1 reference

stated in

New class of steroidal alkaloids from Fritillaria imperialis

Identifiers

InChI

InChI=1S/C28H45NO2/c1-16-6-9-26(29(5)15-16)18(3)20-7-8-21-22(17(20)2)13-24-23(21)14-27(31)25-12-19(30)10-11-28(24,25)4/h16,18-21,23-26,30H,6-15H2,1-5H3/t16-,18+,19-,20+,21+,23-,24-,25+,26-,28+/m0/s1

0 references

InChIKey

ZQRCSCBRFOPBME-HJNAPJNJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZQRCSCBRFOPBME-HJNAPJNJSA-N

(Q104888839)

(3S,4aS,6aR,6bS,9S,11aS,11bR)-9-[(1R)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one

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