(Q105164094)

English

(1R,3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

413.329379616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₃NO₂

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C5=NCC(C)CC5)C)C2(C)C(O)C1

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isomeric SMILES

C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)=NC1

0 references

found in taxon

Veratrum nigrum

2 references

stated in

(-)-Veranigrine, a new steroidal alkaloid from Veratrum nigrum L

stated in

Alkaloids derived from genus Veratrum and Peganum of Mongolian origin as multidrug resistance inhibitors of cancer cells

Identifiers

InChI

InChI=1S/C27H43NO2/c1-16-5-10-24(28-15-16)17(2)21-8-9-22-20-7-6-18-13-19(29)14-25(30)27(18,4)23(20)11-12-26(21,22)3/h6,16-17,19-23,25,29-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22-,23-,25+,26+,27-/m0/s1

0 references

InChIKey

MHSZHQZVWMLGKH-QKQFQSPSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105164094)

(1R,3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Statements

Identifiers

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