(Q105256314)

English

(2S,3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-ethylidene-7,8-dihydroxy-9a,11a-dimethyl-dodecahydro-3H-cyclopenta[a]phenanthren-2-one

1 reference

based on heuristic

inferred from SMILES

mass

332.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,5S,8R,9S,10S,13S,14S)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,5R,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from InChI

(17E)-2beta,3beta-Dihydroxy-5alpha-pregn-17(20)-en-16-one

1 reference

based on heuristic

inferred from InChI

(2S,3R,5R,8R,9S,10S,13S,14S,17Z)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₃

0 references

canonical SMILES

O=C1C(=CC)C2(C)CCC3C(CCC4CC(O)C(O)CC43C)C2C1

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isomeric SMILES

C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Aglaia forbesii

1 reference

stated in

Flavaglines and triterpenoids from the leaves of Aglaia forbesii

Aglaia grandis

1 reference

stated in

Pregnanes and triterpenoid hydroperoxides from the leaves of Aglaia grandis

Aglaia perviridis

1 reference

stated in

Chemical constituents from the leaves of Aglaia perviridis.

Melia azedarach

1 reference

stated in

Two new meliacarpinins from the roots of Melia azedarach

Identifiers

InChI

InChI=1S/C21H32O3/c1-4-14-17(22)10-16-13-6-5-12-9-18(23)19(24)11-21(12,3)15(13)7-8-20(14,16)2/h4,12-13,15-16,18-19,23-24H,5-11H2,1-3H3/b14-4-/t12-,13+,15-,16-,18+,19-,20+,21-/m0/s1

0 references

InChIKey

SNBODTQYFCSFKC-ASTZDSSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SNBODTQYFCSFKC-ASTZDSSBSA-N

(Q105256314)

(2S,3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one

Statements

Identifiers

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