Basic information
- CAS
61825-98-7- Standard SMILES
CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)O- InChIKey
IQDIERHFZVCNRZ-UHFFFAOYSA-N- Molecular formula
- C27H43NO3
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.32429423
Overview
Kashmirine has been reported in Fritillaria ebeiensis, Fritillaria thunbergii var. chekiangensis, and other organisms with data available.
Names & identifiers
- Preferred name
- Kashmirine
- IUPAC
- 10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
- English name
- IMPERIALINE
- Molecular formula
- C27H43NO3
- Molecular weight
- 429.64
Names & synonyms
Kashmirine3,20-Dihydroxycevan-6-oneC27H43NO310,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-onepeiminine [M+H]+Sipeimine; Imperialineorb1221953orb1222594orb1300266orb31394893,20-Dihydroxycevan-6-one #IQDIERHFZVCNRZ-UHFFFAOYSA-N
Show more names
SIPEIMINERADDEAMINEIMPERIALINEPregn-4-ene-3Sipeimine (Standard)sipeimine(Kashmirine)Raddeamine, SipeimineImperialine (Sipeimine)Sipeimine, 10 mM in DMSO
NSC282170s9148s9233STL372912AKOS025247998EBC-615505T6S0105LS-15209
Database identifiers
- CAS
61825-98-7- PubChem CID
- 5221
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 755
Physicochemical properties
- Melting point
- 267 °C · 267 °C(Solv: methanol (67-56-1))
- Boiling point
- 567.1 · 567.1±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethanol (Slightly)
- pka
- 14.56 · 14.56±0.70(Predicted)
- form
- solid
- color
- White to Off-White
- InChIKey
- IQDIERHFZVCNRZ-LRCDAWNTSA-N
- FDA UNII
- 43410 XZ · JKN43410XZ
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 5830000 · FL5830000
- HS Code
- 29389090 · 29389090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- FL5830000
- hs_code
- 29389090
- safety_code
- 24/25
Chemistry & industry
Applications
DescriptionA steroidal alkaloid isolated from the bulbs of Fritillaria irnperialis L. and Petiliurn eduardi, the base crystallizes in short, colourless needles and has [α]D - 35.4° (CHCI3). It yields crystalline salts and with sucrose gives a sequence of characteristic colours on addition of dilute H2S04 from yellowgreen, through pale green, pink, cherry red, to dark violet. The structure has been determined from mass spectrometry and the NMR spectrum, the latter proving the presence of tertiary hydroxyl and methyl groups at C-20.
OccurrenceA steroidal alkaloid, kashmirine has been obtained from Fritillaria raylei. It furnishes colourless needles when crystallized from EtOH and is laevorotatory with a specific rotation of [α]D -40.4° (CHCI3).
UsesImperialine is an isosteroidal alkaloid from Fritillaria thunbergii.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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