(Q105127851)

English

(2R,3R,4R,5R,8R,9S,10R,13S,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

chemical compound

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instance of

type of chemical entity

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subclass of

(2R,3R,4R,10R,13S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from SMILES

(2S,3S,4R,10R,13S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from SMILES

17-Ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from SMILES

mass

350.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2beta,3beta,4beta-Trihydroxy-5alpha-pregnane-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,4R,5S,8R,9S,10R,13S,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,4R,5R,8R,9S,10R,13R,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₄

0 references

canonical SMILES

O=C1CC2C3CCC4C(O)C(O)C(O)CC4(C)C3CCC2(C)C1CC

0 references

isomeric SMILES

CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[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/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,17-,18-,19-,20-,21-/m1/s1

0 references

InChIKey

JHBBZIAPXDEPET-XSXSTQRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHBBZIAPXDEPET-XSXSTQRRSA-N

(Q105127851)

(2R,3R,4R,5R,8R,9S,10R,13S,14S,17R)-17-ethyl-2,3,4-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

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