(Q105228294)

English

N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

stigmastan-type steroid

1 reference

based on heuristic

inferred from SMILES

mass

480.371578776 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₃₁H₄₈N₂O₂

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canonical SMILES

CC(=O)NC1CCC2(C)C3CCC4(C)C(CCC4C(C)CC4=NCCC4=C(C)C)C3=CCC2C1O

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isomeric SMILES

CC(=O)N[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC4=NCCC4=C(C)C)CC[C@@H]32)[C@H]1O

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found in taxon

Corticium

1 reference

stated in

Two steroidal alkaloids from a sponge, Corticium sp.

Identifiers

InChI

InChI=1S/C31H48N2O2/c1-18(2)21-13-16-32-28(21)17-19(3)23-9-10-24-22-7-8-26-29(35)27(33-20(4)34)12-15-31(26,6)25(22)11-14-30(23,24)5/h7,19,23-27,29,35H,8-17H2,1-6H3,(H,33,34)/t19-,23-,24+,25+,26-,27+,29-,30-,31-/m1/s1

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InChIKey

QUNQBOZYERAKAG-HYWVEBSISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUNQBOZYERAKAG-HYWVEBSISA-N

1 reference

(Q105228294)

N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide

Statements

Identifiers

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