Chem
J-GLOBAL ID：200907078967446369   Nikkaji number：J1.680.738I

Bryodulcosigenin

ブリオズルコシゲニン
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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,28+,29-,30+/m1/s1
InChI key： FPMQKXQOBKDVHF-DJHQPCGUSA-N
SMILES： C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • (24R)-3β,24,25-トリヒドロキシククルビタ-5-エン-11-オン
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-ジヒドロキシ-6-メチルヘプタン-2-イル]-7-ヒドロキシ-3a,6,6,9b,11a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • (24R)-3β,24,25-Trihydroxycucurbita-5-ene-11-one
  • ブリオズルコシゲニン
  • Bryodulcosigenin
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