Solasodine

Catalog Number	ACM126170-1
CAS Number	126-17-0
Structure
Description	Solasodine is a steroidal alkaloid common in Solanum species such as Solanum sodomaeum (the devils apple). Solasodine is a natural precursor for the preparation of steroidal hormones and drugs which are used in contraceptives, arthritis and behavioral drugs. Solasodine is also used as a starting material to prepare steroid compounds with glucocorticoid-like properties and which have selective cytotoxicity against certain cancer cells such as squamous cell carcinoma. Solasodine is reported to have antiinflammatory activity and antiproliferative activitiy against human colon (HT29) and liver (HepG2) cancers.
Synonyms	(3β,22α,25R)-Spirosol-5-en-3-ol
Molecular Weight	413.64 g/mol
Molecular Formula	C27H43NO2
Canonical SMILES	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1
InChI	InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI Key	KWVISVAMQJWJSZ-VKROHFNGSA-N
Melting Point	200-202 °C
Purity	95%+
Appearance	Solid
Storage	store at 2℃-8℃, close container well
Complexity	749
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Exact Mass	413.329379614
Harmonized Tariff Code	Switzerland: 29397900 - USA: 2939790000 - Slovakia: 2939799090 - UK: 2939490090 - China: 2939799099
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1
MDL Number	MFCD00037844
Monoisotopic Mass	413.329379614
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	41.5 Ų

Custom Q&A

What is the chemical formula of solasodine?

The chemical formula of solasodine is C27H43NO2.

What is the molecular weight of solasodine?

The molecular weight of solasodine is 413.64.

What is the melting point of solasodine?

The melting point of solasodine is 200-202°C.

In what form does solasodine exist?

Solasodine exists in powder form.

What is the storage temperature recommended for solasodine?

The recommended storage temperature for solasodine is 2-8°C.

What are some of the safety statements associated with solasodine?

Safety Statements 22-24/25 are associated with solasodine.

What are some potential uses of solasodine?

Solasodine can be used as an antineoplastic, antiinflammatory, and as a potentially useful precursor for steroidal drugs.

What family of plants is solasodine usually found in?

Solasodine is usually found in plants from the solanaceae family.

What are some of the biochem/physiol actions of solasodine?

Solasodine is a neuroprotective antioxidant glycoalkaloid that increases SOD, CAT, and GSH levels while reducing LPO and NO levels in the brains.

How can solasodine be purified?

Solasodine can be purified by crystallization from MeOH or aqueous 80% EtOH, and by sublimation at high vacuum.

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