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(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate |
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CHEBI:231471 |
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(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate |
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![](images/goldenstar.gif) ![](images/goldenstar.gif)
This entity has been manually annotated by a third party.
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Kristian Axelsen
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Molfile
XML
SDF
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InChI=1S/C32H48O6/c1- 18(34) 37- 26- 16- 24- 28(2,3) 25(36) 12- 14- 31(24,7) 23- 11- 13- 30(6) 20(9- 10- 22(30) 32(23,26) 8) 19(17- 33) 15- 21(35) 27- 29(4,5) 38- 27/h10,12,14,19- 21,23- 24,26- 27,33,35H,9,11,13,15- 17H2,1- 8H3/t19?,20- ,21+,23+,24- ,26+,27- ,30- ,31+,32- /m0/s1 |
WWUAPUNRXYKGPI-ILYBAXELSA-N |
C1=CC(C([C@] 2([C@] 1([C@@] 3([C@@] ([C@@H] (C2) OC(C) =O) (C=4[C@@] (CC3) ([C@@] (CC4) (C(CO) C[C@H] ([C@H] 5C(C) (C) O5) O) [H] ) C) C) [H] ) C) [H] ) (C) C) =O |
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Outgoing
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(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate
(CHEBI:231471)
is a
acetate ester
(CHEBI:47622)
(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate
(CHEBI:231471)
is a
epoxide
(CHEBI:32955)
(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate
(CHEBI:231471)
is a
organic heteropentacyclic compound
(CHEBI:38164)
(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate
(CHEBI:231471)
is a
tetracyclic triterpenoid
(CHEBI:26893)
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(1S,3bR,4R,5aR,9aR,9bR,11aS)- 1- [(4R)- 5- [(2S)- 3,3- dimethyloxiran- 2- yl]- 1,4- dihydroxybutan- 2- yl]- 3b,6,6,9a,11a- pentamethyl- 7- oxo- 1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH- cyclopenta[a]phenanthren- 4- yl acetate
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UniProt
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36701471
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PubMed citation
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SUBMITTER
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