(Q105237116)

English

(3S,4aS,6aR,6bS,9S,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-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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Statements

instance of

type of chemical entity

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subclass of

piperidine alkaloids

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mass

443.3399443 dalton

1 reference

1 reference

C₂₈H₄₅NO₃

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canonical SMILES

O=C1CC2C3C(=C(C)C(CC3)C(C)C4N(C)CC(C)CC4O)CC2C5(C)CCC(O)CC15

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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]1[C@H](O)C[C@@H](C)CN1C

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found in taxon

Fritillaria monantha

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stated in

Steroidal alkaloids from the bulbs of Fritillaria puqiensis.

Fritillaria puqiensis

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stated in

Steroidal alkaloids from the bulbs of Fritillaria puqiensis.

Identifiers

InChI

InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17-,18+,19-,20-,22+,23+,24-,26-,27-,28-/m1/s1

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InChIKey

RITHKXDOKOLLCZ-YIELZTQKSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105237116)

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

Statements

Identifiers

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