(Q105374703)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

[7-(acetyloxy)-1-ethyl-11a-methyl-2,8-dioxo-dodecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

432.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₆

0 references

canonical SMILES

O=C(OCC12CC(=O)C(OC(=O)C)CC2CCC3C4CC(=O)C(CC)C4(C)CCC31)C

0 references

isomeric SMILES

CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)C(=O)C[C@]4(COC(C)=O)[C@H]3CC[C@@]21C

0 references

found in taxon

Trichilia claussenii

1 reference

stated in

Androstane and pregnane 2β,19-hemiketal steroids from Trichilia claussenii

Identifiers

InChI

InChI=1S/C25H36O6/c1-5-18-21(28)11-20-17-7-6-16-10-23(31-15(3)27)22(29)12-25(16,13-30-14(2)26)19(17)8-9-24(18,20)4/h16-20,23H,5-13H2,1-4H3/t16-,17+,18-,19-,20-,23+,24+,25+/m0/s1

0 references

InChIKey

ZFTUVYVXVWUVOQ-HIMLIXMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFTUVYVXVWUVOQ-HIMLIXMGSA-N

(Q105374703)

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

Statements

Identifiers

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