(±)-三尖杉碱 | 38848-21-4
(±)-三尖杉碱
(±)-Cephalotaxine
38848-21-4
C18H21NO4
315.36364
名称和标识符
InChIKey |
YMNCVRSYJBNGLD-UHFFFAOYSA-N |
Inchi |
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3 |
SMILES |
COC1=CC23CCCN2CCC2=CC4OCOC=4C=C2C3C1O |
别名信息
- 英文别名 -
- 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol,1,5,6,8,9,14b-hexahydro-2-methoxy-, (1R,3aS,14bR)-rel-
- Cephalotaxine, (.+-.)-
- (+-)-Cephalotaxin
- (+-)-cephalotaxine
- 2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]diox
- 4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride
- ACMC-20ml6i
- allylglycine methylester hydrochloride
- allylGly-OMe hydrochloride
- Cephalotaxin
- DL-allylglycine methyl ester hydrochloride
- DL-C-allylglycine methylester hydrochloride
- methyl (RS)-allylglycinate hydrochloride
- methyl DL-2-amino-4-pentenoate hydrochloride
- NSC 239389
- NSC239389
- KBioGR_002338
- 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-
- SPBio_000390
- NCI60_000647
- LSM-1290
- NCGC00095980-02
- 4H-Cyclopenta[a][1,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-
- NSC245455
- SR-05000002574-1
- KBio3_001692
- SPECTRUM1500826
- (2R,3R,6S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
- Spectrum_001125
- [1S-(1.alpha.,3aS*,14b.beta.)]-1,5,6,8,9,14b-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol
- Cephalotaxine (5-alpha, 6-beta, 9-alpha)
- DivK1c_006667
- CCG-38500
- Spectrum2_000575
- KBio2_004173
- Spectrum5_000436
- KBio2_001605
- NSC-245455
- Cephalotaxine,6.beta.,9.alpha.)-
- Q27163349
- NSC-239389
- SR-05000002574
- SCHEMBL13059596
- KBioSS_001605
- KBio1_001611
- SMR001797598
- Alkaloid A from Cephalotaxus
- Spectrum4_001868
- Cephalotaxlen
- MLS002919999
- YMNCVRSYJBNGLD-UHFFFAOYSA-N
- BSPBio_002192
- KBio2_006741
- CHEMBL1476895
- NSC128487
- 4H-Cyclopenta[a][1,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, [1S-(1.alpha.,3aS*,14b.beta.)]-
- SDCCGMLS-0066650.P001
- CHEBI:91512
- 38848-21-4
- SpecPlus_000571
- 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, [1S-(1.alpha.,3aS*,14b.beta.)]-
- NSC245454
- Spectrum3_000626
- NCGC00095980-01
物化性质
实验特性
LogP |
1.73230 |
PSA |
51.16000 |
沸点 |
495.2°Cat760mmHg |
熔点 |
122-124 ºC |
闪点 |
253.3°C |
溶解度 |
微溶 (1.1 g/L) (25 ºC), |
密度 |
1.38±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
315.147 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
1 |
同位素质量 |
315.147 |
重原子数量 |
23 |
复杂度 |
523 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
3 |
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) |
0.2 |
拓扑分子极性表面积 |
51.2Ų |
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