主记录
Pulchinenoside C
- CAS
- 129741-57-7
- PubChem CID
- 11636713
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C(=C)C)O)O)O)CO)O)O)O
- 分子式
- C59H96O26
- 分子量
- 1221.391
- 精确分子量
- 1220.619
- InChI
- InChI=1S/C59H96O26/c1-23(2)26-11-16-59(54(75)85-52-45(73)41(69)38(66)30(81-52)21-77-49-46(74)42(70)47(29(19-60)80-49)83-50-43(71)39(67)35(63)24(3)78-50)18-17-57(7)27(34(26)59)9-10-32-55(5)14-13-33(56(6,22-61)31(55)12-15-58(32,57)8)82-53-48(37(65)28(62)20-76-53)84-51-44(72)40(68)36(64)25(4)79-51/h24-53,60-74H,1,9-22H2,2-8H3/t24-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56-,57+,58+,59-/m0/s1
- InChIKey
- OUHBKBTZUPLIIA-OTEDBJMHSA-N
- LogP
- -2.6885
- TPSA
- 412.82
名称与别名
- Pulchinenoside C
- Anemoside B4
- Pulchinenoside B
- Pulchinenoside B4
- Anemoside B
- Chinensioside A
- Pulchinenoside-B
- Anemoside B,4
- Pulsatilla saponin B4
- 129741-57-7
- JP928BN4LE
- RefChem:1097155
- CHEMBL450226
- orb1303577
- SCHEMBL30543004
- 135247-95-9
- C59H96O26
- MFCD11215450
- HY-N0205
- 8230AH
- NP7038
- NSC709884
- AKOS037514547
- ACN-035214
- ACN-047577
- ANEMOSIDE B4 (REFERENCE GRADE)
- CS-5693
- EBC-615741
- CID11636713
- CID:11636713