Indicine
CAS Registry Number®
480-82-0
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CAS Name
IndicineMolecular Formula
C15H25NO5Molecular Mass
299.36Cite this Page
Indicine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=480-82-0 (retrieved ) (CAS RN: 480-82-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
97-98 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1
InChIKey
InChIKey=SFVVQRJOGUKCEG-XTWPYSKKSA-N
SMILES
C(OC([C@@](C(C)C)([C@H](C)O)O)=O)C=1[C@]2(N(CC1)CC[C@H]2O)[H]
Canonical SMILES
O=C(OCC1=CCN2CCC(O)C12)C(O)(C(O)C)C(C)C
Other Names for this Substance
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-
- Indicine
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1R-[1α,7(2R*,3S*),7aβ]]-
- (+)-Indicine
- Retronecine, 7-[(2R,3S)-2,3-dihydroxy-2-isopropylbutyrate]
