Chem
J-GLOBAL ID:200907026673286681   Nikkaji number:J1.605.784C

7β,15α-Dihydroxy-3-oxolupa-20(29)-ene-28-oic acid

7β,15α-ジヒドロキシ-3-オキソルパ-20(29)-エン-28-酸
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: C30H46O5
Molecular formula furigana: C30-H46-O5
Molecular weight: 486.693
InChI: InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-23(33)28(6)18(24(17)30)8-9-19-27(5)12-11-21(31)26(3,4)20(27)14-22(32)29(19,28)7/h17-20,22-24,32-33H,1,8-15H2,2-7H3,(H,34,35)/t17-,18+,19+,20-,22-,23-,24+,27+,28-,29-,30-/m0/s1
InChI key: VRBZQALCWVCKKK-DEWKCETOSA-N
SMILES: CC(=C)[C@@H]1CC[C@@]2(C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@H](O)[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3):
  • 7β,15α-ジヒドロキシ-3-オキソルパ-20(29)-エン-28-酸
  • (1R,3aS,5S,5aR,5bR,6S,7aR,11aR,11bR,13aR,13bR)-5,6-ジヒドロキシ-5a,5b,8,8,11a-ペンタメチル-9-オキソ-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボン酸
  • (1R,3aS,5S,5aR,5bR,6S,7aR,11aR,11bR,13aR,13bR)-5,6-dihydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (1):
  • 7β,15α-Dihydroxy-3-oxolupa-20(29)-ene-28-oic acid
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