Chem
J-GLOBAL ID:200907027173046257   Nikkaji number:J40.411J

Hemslecin A

ヘムスレシンA
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: C32H50O8
Molecular formula furigana: C32-H50-O8
Molecular weight: 562.744
InChI: InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
InChI key: LKYNAQSYQLFTCM-GYXNDICUSA-N
SMILES: CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (3):
  • (10α)-25-(アセチルオキシ)-2β,3α,16α,20-テトラヒドロキシ-9β-メチル-19-ノルラノスタ-5-エン-11,22-ジオン
  • (6R)-6-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7,8-トリヒドロキシ-3a,6,6,9b,11a-ペンタメチル-10-オキソ-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-1-イル]-6-ヒドロキシ-2-メチル-5-オキソヘプタン-2-イル アセタート
  • (6R)-6-[(1R,2R,3aS,3bS,7S,8S,9aR,9bR,11aR)-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate
Other name (5):
  • ククルビタシンIIa
  • Cucurbitacin IIa
  • (10α)-25-(Acetyloxy)-2β,3α,16α,20-tetrahydroxy-9β-methyl-19-norlanost-5-ene-11,22-dione
  • ヘムスレシンA
  • Hemslecin A
CAS registry number: 58546-34-2
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