Janthitrem B
TL;DR: Janthitrem B (CAS 73561-90-7) is a chemical compound with molecular formula C37H47NO5 and molecular weight 585.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,6S,8R,9R,12S,15S,21S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol
Also Known As: Janthitrem B, 34-deoxy-34,35-didehydro-janthitrem E, (2S,3R,6S,8R,9R,12S,15S,21S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-Hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol, (2R,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-10,10,12,12,15b,15c-Hexamethyl-2-(prop-1-en-2-yl)-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-[1]benzopyrano[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indole-3,4b,9-triol
| Molecular Formula | C37H47NO5 |
|---|---|
| Molecular Weight | 585.35 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 585.3454 |
| Heavy Atoms | 43 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 73561-90-7 |
|---|---|
| SMILES | CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)C)O)C)O |
| InChIKey | FYYNBFCZCKFSKS-QSDHUPEDSA-N |
Product Overview
Janthitrem B (CAS 73561-90-7), with molecular formula C37H47NO5 and molecular weight 585.35 g/mol. IUPAC: (2S,3R,6S,8R,9R,12S,15S,21S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol.
Chemical Property Profile of Janthitrem B
Property Insights of Janthitrem B
The XLogP value of 3.8 indicates that Janthitrem B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Janthitrem B. Following Lipinski's Rule of Five, Janthitrem B has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Janthitrem B?
The CAS number of Janthitrem B is 73561-90-7.
What is the molecular formula of Janthitrem B?
The molecular formula of Janthitrem B is C37H47NO5.
What is the molecular weight of Janthitrem B?
The molecular weight of Janthitrem B is 585.35 g/mol.
Where can I buy Janthitrem B?
You can request a quote for Janthitrem B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Janthitrem B?
Yes, KEHONG BIO provides custom synthesis services for Janthitrem B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.