Retrorsine

• CAS: 480-54-6
• Catalog Number: ACM480546
• Category: Other Products
• Molecular Weight: 351.39
• Molecular Formula: C₁₈H₂₅NO₆
• Synonyms: BETA-LONGILOBINE;12,18-DIHYDROXYSENECIONAN-11,16-DIONE;RETRORSIN;RETRORSINE;16-dione,12,18-dihydroxy-senecionan-1;5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-hydroxymethyl-5-3-ethylidene-4;cis-retronecicacidesterofretronecine;methyl(1,6)dioxacyclododeca(2,3,4-gh)pyrrolizidine-2,7-dione
• Melting Point: 208-211°C(lit.)
• Density: 1.32±0.1 g/cm³ (20 ºC 760 Torr)
• Hazard Statements: T
• Safety Description: 22-36/37/39-45
• Supplemental Hazard Statements: H300
• Symbol: GHS06

Custom Q&A

What is the molecular formula of Retrorsine?

The molecular formula of Retrorsine is C18H25NO6.

Where is Retrorsine found naturally?

Retrorsine is a natural product found in Crotalaria spartioides, Senecio malacitanus, and other organisms with data available.

What is the molecular weight of Retrorsine?

The molecular weight of Retrorsine is 351.4 g/mol.

What is the IUPAC Name of Retrorsine?

The IUPAC Name of Retrorsine is (1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0 14,17]heptadec-11-ene-3,8-dione.

What is the Canonical SMILES of Retrorsine?

The Canonical SMILES of Retrorsine is CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C.

What is the InChIKey of Retrorsine?

The InChIKey of Retrorsine is BCJMNZRQJAVDLD-CQRYIUNCSA-N.

How many hydrogen bond donor counts does Retrorsine have?

Retrorsine has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Retrorsine?

The XLogP3-AA value of Retrorsine is 0.6.

What is the topological polar surface area of Retrorsine?

The topological polar surface area of Retrorsine is 96.3 Ų.

What is the complexity value of Retrorsine?

The complexity value of Retrorsine is 627.