About (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione
(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione (PubChem CID 91508438) has the molecular formula C153H241N3O36
and a molecular weight of 2698.60 g/mol. Its IUPAC name is (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione.
Frequently Asked Questions
What is the IUPAC name of (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione?
The IUPAC name of (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione (CID 91508438) is (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione.
What is the SMILES notation for (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione?
The canonical SMILES for (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione is CO[C@@H]1CC(C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C(C)C=C/C(C)=C\CC3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)CC[C@@H]1O.CO[C@@H]1CC(C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C(C)C=C/C(C)=C\CC3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)CC[C@H]1O.CO[C@@H]1CC(C[C@@H](C)[C@@H]2CC(O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(O)[C@H](C)C[C@H](C)/C=C/C(C)C=C/C(C)=C\CC3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)CC[C@H]1O.
What is the InChIKey of (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione?
The InChIKey is PYWBWKAXKBQXKB-KARGQYBXSA-N. The full InChI is InChI=1S/C51H83NO12.2C51H79NO12/c3*1-30-14-15-31(2)18-21-39-22-19-37(8)51(60,64-39)48(57)49(58)52-24-12-11-13-40(52)50(59)63-43(34(5)27-38-20-23-41(53)44(28-38)61-9)29-42(54)33(4)26-36(7)46(56)47(62-10)45(55)35(6)25-32(3)17-16-30/h14-18,26,30,32-35,37-47,53-56,60H,11-13,19-25,27-29H2,1-10H3;2*14-18,26,30,32-35,37-41,43-44,46-47,53,56,60H,11-13,19-25,27-29H2,1-10H3/b3*15-14?,17-16+,31-18-,36-26-/t30?,32-,33-,34-,35-,37-,38?,39?,40?,41-,42?,43+,44-,45?,46-,47+,51-;30?,32-,33-,34-,35-,37-,38?,39?,40?,41+,43+,44-,46-,47+,51-;30?,32-,33-,34-,35-,37-,38?,39?,40?,41-,43+,44-,46-,47+,51-/m111/s1.
What are the key properties of (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione?
(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione has a molecular weight of 2698.60 g/mol, XLogP of 19.99, 15 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19R,21R,23S,24E,29E,35R)-1,18-dihydroxy-12-[(2R)-1-[(3R,4S)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10,14,20-pentone;(1R,12S,15R,16E,18R,19S,21R,23S,24E,29E,35R)-1,14,18,20-tetrahydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,26,29,35-heptamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,27,29-tetraene-2,3,10-trione is sourced from PubChem (CID 91508438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).