Chem
J-GLOBAL ID：200907039709702320   Nikkaji number：J14.133J

Camelliagenin B

カメリアゲニンB
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,16,19-24,32-35H,8-15,17H2,1-6H3/t19-,20+,21+,22-,23-,24+,26-,27-,28+,29+,30+/m0/s1
InChI key： RJEBVLDZINEMCO-CUCCWGAISA-N
SMILES： CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (4)：
  • 3β,16α,22α,28-テトラヒドロキシ-5α-オレアナ-12-エン-23-アール
  • 3β,16α,22α,28-テトラヒドロキシオレアナ-12-エン-23-アール
  • (3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-3,8,9-トリヒドロキシ-8a-(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-4-カルバルデヒド
  • (3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-3,8,9-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carbaldehyde
Other name (6)：
  • カメリアゲニンB
  • Camelliagenin B
  • カメリアサポゲノールII
  • Camelliasapogenol II
  • 3β,16α,22α,28-Tetrahydroxyolean-12-en-23-al
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CAS registry number： 14511-74-1
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