(Q105292598)

English

(2R,3S,5S,8R,9S,10S,13R,14S,17R)-17-ethyl-3-hydroxy-2-methoxy-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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Statements

instance of

type of chemical entity

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subclass of

17-Ethyl-3-hydroxy-2-methoxy-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

348.266445012 dalton

1 reference

1 reference

C₂₂H₃₆O₃

0 references

canonical SMILES

O=C1CC2C3CCC4CC(O)C(OC)CC4(C)C3CCC2(C)C1CC

0 references

isomeric SMILES

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

0 references

found in taxon

Aglaia tomentosa

1 reference

stated in

Dammarane triterpenes and pregnane steroids from Aglaia lawii and A. tomentosa

Identifiers

InChI

InChI=1S/C22H36O3/c1-5-15-18(23)11-17-14-7-6-13-10-19(24)20(25-4)12-22(13,3)16(14)8-9-21(15,17)2/h13-17,19-20,24H,5-12H2,1-4H3/t13-,14+,15-,16-,17-,19-,20+,21-,22-/m0/s1

0 references

InChIKey

VSYFJHFESQENRE-SDAGLBTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSYFJHFESQENRE-SDAGLBTFSA-N

(Q105292598)

(2R,3S,5S,8R,9S,10S,13R,14S,17R)-17-ethyl-3-hydroxy-2-methoxy-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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Identifiers

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