(Q104888510)

English

[(1S)-1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]ethyl]dimethylamine

chemical compound

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instance of

type of chemical entity

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subclass of

1-(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N-dimethylethanamine

1 reference

based on heuristic

inferred from SMILES

1-[(8S,9R,10R,13S,14S,17R)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylethanamine

1 reference

based on heuristic

inferred from SMILES

mass

359.318814932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1-[(3R,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylethanamine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S)-1-[(3S,8S,9S,10R,13R,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylethanamine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₁NO

0 references

canonical SMILES

O(C)C1CC2=CCC3C(CCC4(C)C(CCC34)C(N(C)C)C)C2(C)CC1

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isomeric SMILES

CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1

0 references

found in taxon

Sarcococca saligna

3 references

stated in

Alkaloids of Sarcococca saligna

stated in

3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)

stated in

New Cholinesterase-Inhibiting Steroidal Alkaloids fromSarcococca saligna

Pachysandra procumbens

3 references

stated in

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

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1

0 references

InChIKey

ZTNBSFMIFOLVCM-MCTVSQGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZTNBSFMIFOLVCM-MCTVSQGJSA-N

ChEBI ID

228289

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1

(Q104888510)

[(1S)-1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]ethyl]dimethylamine

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