(Q105291660)

English

(3S,8S,9S,10R,13R,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]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(20S,25S)-22,26-iminocholesta-5,22(N)-dien-3beta-ol

1 reference

based on heuristic

inferred from SMILES

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]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

397.334464996 dalton

1 reference

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-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]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,8R,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-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]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₃NO

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C5=NCC(C)CC5)C)C2(C)CC1

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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)CC[C@]5(C)[C@H]4CC[C@]32C)=NC1

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found in taxon

Eclipta alba

1 reference

stated in

DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest1.

Eclipta prostrata

1 reference

stated in

DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest1.

Veratrum nigrum

1 reference

stated in

Studies on the constituents of Veratrum plants. II. Constituents of Veratrum nigrum L. var. ussuriense. (1). Structure and 1H- and 13C-nuclear magnetic resonance spectra of a new alkaloid, verussurinine, and related alkaloids.

Identifiers

InChI

InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27-/m0/s1

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InChIKey

VRBNGKPRTHBEIQ-NCCOKBSRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRBNGKPRTHBEIQ-NCCOKBSRSA-N

(Q105291660)

(3S,8S,9S,10R,13R,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]phenanthren-3-ol

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