Auriculine

Catalog Number	ACM22595002
CAS Number	22595-00-2
Molecular Weight	559.7
InChI	InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1
InChI Key	FQXZITIIHQHGBC-KRYJLITLSA-N
Purity	95%+
Complexity	870
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Exact Mass	559.31451739
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC(=CCC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC=C(C)C)C(=O)OC[C@H]3CCN4[C@@H]3CCC4)C
Monoisotopic Mass	559.31451739
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	129 Ų

Custom Q&A

What is the product name of this compound?

The product name of this compound is Auriculine.

What are some synonyms for Auriculine?

Some synonyms for Auriculine include "Benzoic acid, 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)-, [(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester".

What is the CAS number for Auriculine?

The CAS number for Auriculine is 22595-00-2.

What is the molecular formula for Auriculine?

The molecular formula for Auriculine is C31H45NO8.

What is the molar mass of Auriculine?

The molar mass of Auriculine is 559.6909 g/mol.

What is the predicted boiling point of Auriculine?

The predicted boiling point of Auriculine is 722.2±60.0 °C.

What is the predicted density of Auriculine?

The predicted density of Auriculine is 1.27±0.1 g/cm3.

What is the predicted pKa value of Auriculine?

The predicted pKa value of Auriculine is 12.79±0.70.

What is the definition of Auriculine according to ChEBI?

According to ChEBI, Auriculine is a compound with the structure L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo.

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