81543-03-5 ((1R)-1α,6α-双(乙酰氧基)-1,2,3,6,7,7a,10,14,14aβ,14b-十氢-3,13-二甲氧基-5,5,7aβ,9,14bα-五甲基-12H-3β,5aβ-环氧-5H-呋喃并[3,4-i]氧杂[4,3-a]黄嘌呤-12-酮,(1R)-1α,6α-Bis(acetyloxy)-1,2,3,6,7,7a,10,14,14aβ,14b-decahydro-3,13-dimethoxy-5,5,7aβ,9,14bα-pentamethyl-12H-3β,5aβ-epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one)

CAS号:
81543-03-5
中文名称:
(1R)-1α,6α-双(乙酰氧基)-1,2,3,6,7,7a,10,14,14aβ,14b-十氢-3,13-二甲氧基-5,5,7aβ,9,14bα-五甲基-12H-3β,5aβ-环氧-5H-呋喃并[3,4-i]氧杂[4,3-a]黄嘌呤-12-酮
英文名称:
(1R)-1α,6α-Bis(acetyloxy)-1,2,3,6,7,7a,10,14,14aβ,14b-decahydro-3,13-dimethoxy-5,5,7aβ,9,14bα-pentamethyl-12H-3β,5aβ-epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one
分子式:
C30H38O11
分子量:
574.61613035202

(1R)-1α,6α-双(乙酰氧基)-1,2,3,6,7,7a,10,14,14aβ,14b-十氢-3,13-二甲氧基-5,5,7aβ,9,14bα-五甲基-12H-3β,5aβ-环氧-5H-呋喃并[3,4-i]氧杂[4,3-a]黄嘌呤-12-酮(81543-03-5)名称与标识符

名称

英文别名:
5H-3,5a-Epoxy-12H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one,1,6-bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-,(1R,3S,5aR,6R,7aS,14aR,14bS)-;(1R)-1α,6α-Bis(acetyloxy)-1,2,3,6,7,7a,10,14,14aβ,14b-decahydro-3,13-dimethoxy-5,5,7aβ,9,14bα-pentamethyl-12H-3β,5aβ-epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one;5H-3,5a-Epoxy-12H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one,1,6-bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimeth;Austalide C;C1214Z28QJ;CID 102060393;5H-3,5a-Epoxy-12H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one, 1,6-bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-, (1R,3S,5aR,6R,7aS,14aR,14bS)-;CHEBI:172748;12H-3,5a-Epoxy-5H-furo(3,4-i)oxepino(4,3-a)xanthen-12-one, 1,6-bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-, (1R-(1alpha,3beta,5abeta,6alpha,7abeta,14abeta,14balpha))-;UNII-C1214Z28QJ;(1R,3S,5aR,6R,7aS,14aR,14bS)-1,6-Bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-5H-3,5a-epoxy-12H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one;DTXSID301098766;5H-3,5a-Epoxy-12H-furo(3,4-i)oxepino(4,3-a)xanthen-12-one, 1,6-bis(acetyloxy)-1,2,3,6,7,7a,10,14,14a,14b-decahydro-3,13-dimethoxy-5,5,7a,9,14b-pentamethyl-, (1R,3S,5aR,6R,7aS,14aR,14bS)-;12H-3,5A-EPOXY-5H-FURO(3,4-I)OXEPINO(4,3-A)XANTHEN-12-ONE, 1,6-BIS(ACETYLOXY)-1,2,3,6,7,7A,10,14,14A,14B-DECAHYDRO-3,13-DIMETHOXY-5,5,7A,9,14B-PENTAMETHYL-, (1R-(1.ALPHA.,3.BETA.,5A.BETA.,6.ALPHA.,7A.BETA.,14A.BETA.,14B.ALPHA.))-;81543-03-5;[(1R,2R,4S,16R,17S,18R,20S)-18-acetyloxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl] acetate;

标识符

InChIKey:
CSYWTGORJHMPOT-NBXIOWKLSA-N
Inchi:
1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3/t19-,20+,21+,27-,28-,29-,30+/m0/s1
SMILES:
O1[C@@]2(C[C@H]([C@]3(C)[C@H]4CC5C(=C6C(=O)OCC6=C(C)C=5O[C@@]4(C)C[C@H]([C@]13C(C)(C)O2)OC(C)=O)OC)OC(C)=O)OC

(1R)-1α,6α-双(乙酰氧基)-1,2,3,6,7,7a,10,14,14aβ,14b-十氢-3,13-二甲氧基-5,5,7aβ,9,14bα-五甲基-12H-3β,5aβ-环氧-5H-呋喃并[3,4-i]氧杂[4,3-a]黄嘌呤-12-酮(81543-03-5)物化性质

计算特性

  • 精确分子量 : 574.241
  • 氢键供体数量 : 0
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 6
  • 同位素质量 : 574.241
  • 重原子数量 : 41
  • 复杂度 : 1140
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.9
  • 拓扑分子极性表面积 : 125