(Q105123435)

English

(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-4-oxopentan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3a,6,6,9a,11a-pentamethyl-1-(4-oxopentan-2-yl)-1H,2H,3H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

398.318480584 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,9S,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-4-oxopentan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₂

0 references

canonical SMILES

O=C(C)CC(C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)C)C

0 references

isomeric SMILES

CC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

0 references

found in taxon

Flindersia bourjotiana

1 reference

stated in

The chemical constituents of Australian Flindersia species. XIX. Triterpenoids from the leaves of F. bourjotiana F. Muell

Identifiers

InChI

InChI=1S/C27H42O2/c1-17(16-18(2)28)19-10-14-27(7)21-8-9-22-24(3,4)23(29)12-13-25(22,5)20(21)11-15-26(19,27)6/h8,17,19-20,22H,9-16H2,1-7H3/t17-,19-,20-,22-,25+,26-,27+/m0/s1

0 references

InChIKey

IZRZLEZNNVNGHW-WAWRXQFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZRZLEZNNVNGHW-WAWRXQFFSA-N

(Q105123435)

(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-4-oxopentan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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