(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

chemical compound

C₃₀H₄₆O₃

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid is …
instance of (P31):
type of chemical entityQ113145171

sublass of (P279):
lupaneQ65240645

External links are
P233canonical SMILESO=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1
P231CAS Registry Number4481-62-3
P683ChEBI ID149955
P234InChIInChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
P235InChIKeySLJTWDNVZKIDAU-SVAFSPIFSA-N
P2017isomeric SMILESC=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
P11199Probes And Drugs IDPD063625
P662PubChem CID122844
P2877SureChEMBL IDSCHEMBL210119
P11089UniChem compound ID394470
P652UNII7C1UV6ITF5

P703found in taxonDuboisia myoporoidesQ145166
Rhus chinensisQ163116
Betula ermaniiQ163544
Melaleuca leucadendraQ310876
Ziziphus mauritianaQ327859
Lantana camaraQ332469
Liquidambar styracifluaQ469652
Stauntonia hexaphyllaQ505686
Ficus microcarpaQ714180
Betula schmidtiiQ844131
Betula dahuricaQ850480
Liquidambar formosanaQ986006
Ziziphus jujubaQ11181633
Rhododendron barbatumQ15251221
Ceriops tagalQ2946677
Eucalyptus tereticornisQ3006305
Maytenus boariaQ1152753
Betula platyphyllaQ1373854
Vatica cinereaQ3012289
Brucea javanicaQ7691623
OrthopterygiumQ15268725
Euonymus revolutusQ15330107
Viscum coloratumQ15356924
Nothofagus pumilioQ1817587
Ixora coccineaQ1856114
Boronia inornataQ15389173
Boronia gracilipesQ15393745
Dorstenia convexaQ15473523
Millettia pinnataQ1973585
Corymbia citriodoraQ2549523
Chisocheton macrophyllusQ15543003
Ozothamnus stirlingiiQ15580478
Himalaiella deltoideaQ24850767
Pongamia pinnataQ24852568
Senegalia melliferaQ42755394
Monteverdia cuzcoinaQ90484669
Symphyopappus compressusQ104851949
Betula platyphylla var. japonicaQ104911980
Lipschitziella deltoideaQ106907579
P2067mass454.344695332
P3364stereoisomer of(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acidQ105255359
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acidQ105255361

Reverse relations

stereoisomer of (P3364)
Q105255361(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Q105255359(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

main subject (P921)
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