Cas no 96562-88-8 (Szechenyine)
Szechenyine structure
Product Name:Szechenyine
CAS No:96562-88-8
MF:C36H51NO11
MW:673.790251970291
CID:803855
PubChem ID:14772902
Update Time:2025-04-19
Szechenyine Chemical and Physical Properties
Names and Identifiers
-
- Aconitane-3,13,14,15-tetrol,8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3-acetate 14-benzoate,(1a,3a,6a,14a,15a,16b)-
- Aconitane-3,13,14,15-tetrol,8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3-acetate ...
- Aconitane-3,13,14,15-tetrol,8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3-acetate 14-benzoate,(1a,3a,6a,14a,15a,1
- SZECHENYINE
- Polyschistine A
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,13,14,15-tetrol deriv.
- 3-Acetyl-8-O-ethyl-14-benzoylaconine
- 3-O-Acetyl-14-O-benzoyl-8-O-ethylaconine
- 8-O-Ethylaconine 3-acetate 14-benzoate
- Cattle seven bases
- O8-Ethylpolyschistine D
- [14-Acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
- CID 24884090
- 96562-88-8
- Aconitane-3,13,14,15-tetrol,8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3-acetate14-benzoate, (1a,3a,6a,14a,15a,16b)-
- Szechenyine
-
- Inchi： 1S/C36H51NO11/c1-8-37-17-33(18-42-4)22(47-19(3)38)15-23(43-5)35-21-16-34(41)30(48-32(40)20-13-11-10-12-14-20)24(21)36(46-9-2,29(39)31(34)45-7)25(28(35)37)26(44-6)27(33)35/h10-14,21-31,39,41H,8-9,15-18H2,1-7H3
- InChI Key： DXAQZKJLRXMIFW-UHFFFAOYSA-N
- SMILES： O(CC)C12C(C(C3(C(C1C(C3)C13C(CC(C4(COC)CN(CC)C1C2C(C34)OC)OC(C)=O)OC)OC(C1C=CC=CC=1)=O)O)OC)O
Computed Properties
- Exact Mass: 673.34600
- Monoisotopic Mass: 673.346
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 48
- Rotatable Bond Count: 13
- Complexity: 1250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 142A^2
- XLogP3: 1.2
Experimental Properties
- Color/Form: Cryst.
- Density: 1.32
- Boiling Point: 711°Cat760mmHg
- Flash Point: 383.8°C
- Refractive Index: 1.593
- PSA: 142.45000
- LogP: 1.63020
Szechenyine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | S960000-1mg |
Szechenyine |
96562-88-8 | 1mg |
$207.00 | 2023-05-17 | ||
| TRC | S960000-2.5mg |
Szechenyine |
96562-88-8 | 2.5mg |
$953.00 | 2023-05-17 | ||
| TRC | S960000-5mg |
Szechenyine |
96562-88-8 | 5mg |
$ 1200.00 | 2023-09-06 |
Szechenyine Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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