Solasodine structure, CAS 126-17-0

Solasodine

CAS Number126-17-0

Synonyms(3b,22a,25R)-Spirosol-5-en-3-ol; Solanearpidine; Solasod-5-en-3β-ol; (3β,22α,25R)-Spirosol-5-en-3-ol; Solancarpidine; Solasod-5-en-3b-ol; Purapuridine; MFCD00037844; EINECS 204-774-2; Solasod-5-en-3-β-ol; Solanidine-S; Solasodine; D5-20bF,22aF,25aF,28-azaspirosten-3b-ol

Molecular FormulaC27H43NO2

Molecular Weight413.64

Purity≥98.0 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point537.9±50.0 °C at 760 mmHg

Melting Point284 °C (dec.)(lit.)

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-9012479 Purity: ≥98.0 (HPLC)%
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Quality Control of [ 126-17-0 ] Purity: ≥98.0 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number126-17-0
Catalog No.2A-9012479
Chinese Name澳洲茄胺; 澳州茄胺
Synonyms(3b,22a,25R)-Spirosol-5-en-3-ol; Solanearpidine; Solasod-5-en-3β-ol; (3β,22α,25R)-Spirosol-5-en-3-ol; Solancarpidine; Solasod-5-en-3b-ol; Purapuridine; MFCD00037844; EINECS 204-774-2; Solasod-5-en-3-β-ol; Solanidine-S; Solasodine; D5-20bF,22aF,25aF,28-azaspirosten-3b-ol
Molecular FormulaC27H43NO2
Molecular Weight413.64
Purity≥98.0 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point537.9±50.0 °C at 760 mmHg
Melting Point284 °C (dec.)(lit.)
Water Solubility200 g/L (25 ºC)
Storage Condition2-8°C
ApplicationSolasodine (Purapuridine) is a toxic alkaloid found in Solanaceae plants and is selectively cytotoxic to cervical cancer cell lines (HeLa) and human myeloid leukemia cell lines (U937).
SMILESC[C@@H]1[C@]2(NC[C@H](C)CC2)O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]31[H]
InChI1S/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 KeyKWVISVAMQJWJSZ-VKROHFNGSA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/12479_1_126_17_0.pdf
Transport InfoProduct name: Australian solanamine
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