Chem
J-GLOBAL ID：200907040630829617   Nikkaji number：J2.773.891E

(20R,24S)-3β,24-Dihydroxytirucallane-8,25-diene-7-one

(20R,24S)-3β,24-ジヒドロキシチルカラン-8,25-ジエン-7-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-18(2)22(31)10-9-19(3)20-11-16-30(8)26-21(12-15-29(20,30)7)28(6)14-13-25(33)27(4,5)24(28)17-23(26)32/h19-20,22,24-25,31,33H,1,9-17H2,2-8H3/t19-,20+,22+,24+,25+,28-,29+,30-/m1/s1
InChI key： OBFLQEDGXMQGSC-RZPVLNRESA-N
SMILES： C[C@H](CC[C@H](O)C(=C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
Systematic name  (3)：
  • (20R,24S)-3β,24-ジヒドロキシチルカラン-8,25-ジエン-7-オン
  • (1S,3aS,5aR,7S,9aS,11aS)-7-ヒドロキシ-1-[(2R,5S)-5-ヒドロキシ-6-メチルヘプタ-6-エン-2-イル]-3a,6,6,9a,11a-ペンタメチル-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-オン
  • (1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-1-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
Other name (1)：
  • (20R,24S)-3β,24-Dihydroxytirucallane-8,25-diene-7-one
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