2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate
CAS Registry Number®
468-76-8
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CAS Name
2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetateMolecular Formula
C24H39NO4Molecular Mass
405.57Cite this Page
2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=468-76-8 (retrieved ) (CAS RN: 468-76-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
405 °CMelting Point (2)
142.5 °C
Source(s)
- (1) Dalma, Gustavo; Annali di Chimica Applicata, (1935), 25, 569-71, CAplus
- (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1
InChIKey
InChIKey=GMHWATCMBXIANN-IOJUAHGHSA-N
SMILES
C[C@@]12[C@](C(C)(C)[C@@H](O)CC1)(CC(=O)[C@@]3([C@@]2(CC/C(=C\C(OCCN(C)C)=O)/[C@@H]3C)[H])[H])[H]
Canonical SMILES
O=C(OCCN(C)C)C=C1CCC2C(C(=O)CC3C(C)(C)C(O)CCC23C)C1C
Other Names for this Substance
- Acetic acid, [(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]-, 2-(dimethylamino)ethyl ester, (2E)-
- Cassaine
- Acetic acid, (dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, [1R-(1α,2E,4aα,4bβ,7β,8aα,10aβ)]-
- Podocarpane-Δ13,α-acetic acid, 3β-hydroxy-14α-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, (E)-
- 2-(Dimethylamino)ethyl (2E)-[(1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene]acetate
